Tag: M.W:200-300

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 2-(5-Bromothiophen-2-yl)pyridine, is researched, Molecular C9H6BrNS, CAS is 123784-07-6, about Synthesis of 2-(2-thienyl)pyridine and several of its derivatives.Product Details of 123784-07-6.

Cycloaddition of thiophenecarbonitriles I (R1 = H, Br, R2 = H; R1 = H, R2 = Br) with acetylene gave 25-76% 2-thienylpyridine II; II (R1 = R2 = H) was chlorinated, nitrated, carboxylated, brominated, and acetylated to give thienylpyridines II (R1 = Cl, NO2, CO2H, Br, Ac, R2 = H), resp.

The article 《Synthesis of 2-(2-thienyl)pyridine and several of its derivatives》 also mentions many details about this compound(123784-07-6)Product Details of 123784-07-6, you can pay attention to it, because details determine success or failure

Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3,5-Di(pyridin-2-yl)-4H-1,2,4-triazol-4-amine( cas:1671-88-1 ) is researched.HPLC of Formula: 1671-88-1.Mernari, B.; El Attari, H.; Traisnel, M.; Bentiss, F.; Lagrenee, M. published the article 《Inhibiting effects of 3,5-bis(N-pyridyl)-4-amino-1,2,4-triazoles on the corrosion for mild steel in 1 M HCl medium》 about this compound( cas:1671-88-1 ) in Corrosion Science. Keywords: corrosion inhibitor steel hydrochloric acid. Let’s learn more about this compound (cas:1671-88-1).

A new class of corrosion inhibitors, namely, 3,5-bis(n-pyridyl)-4-amino-1,2,4-triazoles (n-PAT) has been synthesized and its inhibiting action on the corrosion of mild steel in 1 M HCl has been investigated by various corrosion monitoring techniques such as corrosion weight loss tests and electrochem. impedance spectroscopy. The electrochem. study reveals that these compounds are anodic inhibitors. The absorption of (n-PAT) on the steel surface obeys the Langmuir adsorption isotherm.

The article 《Inhibiting effects of 3,5-bis(N-pyridyl)-4-amino-1,2,4-triazoles on the corrosion for mild steel in 1 M HCl medium》 also mentions many details about this compound(1671-88-1)HPLC of Formula: 1671-88-1, you can pay attention to it, because details determine success or failure

Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3,5-Di(pyridin-2-yl)-4H-1,2,4-triazol-4-amine( cas:1671-88-1 ) is researched.Synthetic Route of C12H10N6.Setifi, Zouaoui; Gaamoune, Bachir; Stoeckli-Evans, Helen; Rouag, Djamil Azzeddine; Setifi, Fatima published the article 《A new coordination complex based on a polynitrile ligand bis(4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole)diaquairon(II) bis(1,1,3,3-tetracyano-2-methylsulfanylpropenide)》 about this compound( cas:1671-88-1 ) in Acta Crystallographica, Section C: Crystal Structure Communications. Keywords: iron aminopyridyltriazole aqua cyanomethylsulfanylpropenide crystal mol structure hydrogen bond; high spin electron delocalization iron aminopyridyltriazole aqua cyanomethylsulfanylpropenide. Let’s learn more about this compound (cas:1671-88-1).

A high-spin iron(II) complex, [Fe(C12H10N6)2(H2O)2](C8H3N4S)2 or [Fe(abpt)2(H2O)2](tcnsme)2 [where abpt is 4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole and tcnsme is the 1,1,3,3-tetracyano-2-methylthiopropenide anion], consists of discrete [Fe(abpt)2(H2O)2]2+ dications, where the FeII ion is coordinated by two N,N’-bidentate chelating abpt ligands in the equatorial plane and two water mols. in trans positions, generating a distorted octahedral [FeN4O2] environment. The cationic unit is neutralized by two polynitrile tcnsme anions, in which the C-N, C-C, and C-S bond lengths indicate extensive electronic delocalization. In the crystal structure, the dications and anions are linked through O-H···N and N-H···N hydrogen bonds involving the water H atoms and those of the NH2 groups and the N atoms of the CN groups, leading to the formation of a three-dimensional network.

The article 《A new coordination complex based on a polynitrile ligand bis(4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole)diaquairon(II) bis(1,1,3,3-tetracyano-2-methylsulfanylpropenide)》 also mentions many details about this compound(1671-88-1)Synthetic Route of C12H10N6, you can pay attention to it, because details determine success or failure

Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Reaction between aroylacetones and arylhydrazines》. Authors are Finar, I. L.; Simmonds, Alma B..The article about the compound:1,5-Diphenyl-1H-pyrazole-3-carboxylic acidcas:13599-22-9,SMILESS:OC(=O)C1=NN(C(=C1)C1=CC=CC=C1)C1=CC=CC=C1).Computed Properties of C16H12N2O2. Through the article, more information about this compound (cas:13599-22-9) is conveyed.

PhNHNH2 and ο-, m-, and p-nitrobenzoylacetones react to form only 5-ο-, -m-, and -p-nitrophenyl-3-methyl-1-phenylpyrazoles (I), 3,1,-5-MePh(x-O2NC6H4)C3HN2, whereas BzCH2Ac and 2,4-(O2N)2C6H3NHNH2 give both 1-(2,4-dinitrophenyl)-3-methyl-5-phenylpyrazole (II) and 1-(2,4-dinitrophenyl)-5-methyl-3-phenylpyrazole (III). The orientation of I (x = 3 or 4) (IIIa, IIIb) was established by reduction to the amine, diazotization, and treatment with H3PO2 to give 3-methyl-1,5-diphenylpyrazole (IV). Similar treatment of I (x = 2) (IVa) gave 3-methyl-1-phenyl-1H-pyrazolo[4,5-c]cinnoline (V) instead of the expected methyldiphenylpyrazole. To prevent the formation of V, IVa was converted into the 4-Br derivative Reduction to the amine, followed by diazotization and treatment of the diazonium salt (VI) with H3PO2 gave 4-bromo-3-methylpyrazolo[1,2-d]phenanthridine (VII). Oxidation of IV by boiling with KMnO4 in dilute C5H5N gave authentic 1,5-diphenylpyrazole-3-carboxylic acid. PhNHNH2 (1.3 g.) and 2.35 g. ο-O2NC6H4COCH2Ac heated 10 min. in alc. at 35-40° gave 3.17 g. yellow phenylhydrazone (IX), m. 156° (cf. Koenigs and Freund, C.A. 42, 1935h). Heating 10 g. diketone in alc. with 5.4 g. PhNHNH2 in alc. on a steam bath 5 min. gave 6.4 g. of another form of the phenylhydrazone (IXa), m. 136°, together with 7.5 g. IVa. Colorless IXa boiled in alc. and the solution cooled quickly gave IX. Both IX and IXa heated in alc. on a steam bath or recrystallized from CHCl3, AcOH, or C6H6 slowly formed IVa. PhNHNH2 (1.2 g.) and 2.3 g. m-O2NC6H4COCH2Ac refluxed 3 hrs. in alc. yielded 93% IIIa, m. 102-3°. Condensation of p-O2NC6H4COCl with AcCH2CO2Et in the presence of NaOMe in MeOH by an adaptation of the method of Bülow and Hailer [Ber. 35, 932(1902)], dilution of the mixture with ice H2O, filtration, pouring the filtrate into cold AcOH, and extraction with Et2O yielded 48% p-O2NC6H4COCH2CO2Et, converted according to Knorr and Jödicke [Ber. 18, 2259(1885)] to 3-methyl-5-(p-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid (X), m. 210°, and transformed by heating 3 hrs. at 240-50° to IIIb, m. 111-12°, also obtained in 36% yield by refluxing 2.0 g. p-O2NC6H4COCH2Ac and 1.1 g. PhNHNH2 in alc. BzCH2Ac (20 g.) in alc. and 16 g. 2,4-(O2N)2C6H3NHNH2 in 32 ml. 98% H2SO4 and 350 ml. hot alc. heated 10 min. on a steam bath and the mixture decanted gave 15.3 g. II, m. 137° (alc. or AcOH). The decanted solution cooled and filtered yielded 2.1 g. III, m. 154° (alc. or AcOH). IVa, II, and III in AcOH treated with excess Br at room temperature and filtered, the precipitate taken up in CHCl3, and the solution washed with aqueous Na2CO3 and H2O gave 86, 93, and 91% of the corresponding 4-Br derivatives m. 141, 176, and 158°, resp. The nitro compounds IIIa, IIIb, and IVa (1 mole) in alc. heated 1 hr. on a steam bath with 8 moles SnCl2 in concentrated HCl and the cooled solution made alk. with 30% NH4OH, the amine extracted with Et2O, and recrystallized (alc.) yielded the corresponding 5-aminophenyl-3-methyl-1-phenylpyrazoles (XI): m-amino (XIa), m. 161.5°; p-amino (XIb), m. 93°; ο-amino (XIc), m. 96°, also obtained as a better product, m. 99°, by heating 17.5 g. IVa in 10 ml. 60% N2H4.H2O in alc. on a steam bath in the presence of 2 g. Pd-C. Similar reduction of 10 g. 4-Br derivative of IVa gave 5.1 g. 5-(ο-aminophenyl)-4-bromo-3-methyl-1-phenylpyrazole (XId), m. 135°. X was converted by the procedure of K. and J. (loc. cit.) to the corresponding 5-(p-aminophenyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid (XIe), m. 261°. II (8 g.) in 500 ml. alc. and 15 ml. 30% NH4OH saturated with H2S heated 1 hr. on a steam bath and evaporated, the crystalline product (5.3 g.) taken up in concentrated HCl and filtered, the filtrate diluted with H2O, and the precipitate crystallized gave 1-(4-amino-2-nitrophenyl)-3-methyl-5-phenylpyrazole (XII), m. 182° (alc.). III (1.4 g.) in 60 ml. alc. and 3 ml. 30% NH4OH reduced with H2S yielded 54% 1-(4-amino-2-nitrophenyl)-5-methyl-3-phenylpyrazole, m. 170° (alc. or ligroine). The aminophenylpyrazoles (0.6 g.) in 3 ml. concentrated HCl were diazotized 30 min. with 0.3 g. NaNO2 in 0.5 ml. H2O and the solution poured into 7 ml. 30% H3PO2. XIa and XIb both gave IV, characterized as its Br derivative m. 75°. XIe gave authentic 3-methyl-1,5-diphenyl-pyrazole-4-carboxylic acid, m. 205°. The product obtained by heating 4-chloroquinaldine with excess PhNHNH2 in a sealed tube at 200° (K. and F., loc. cit.) was shown to be 3-(ο-aminophenyl)-5-methyl-1-phenylpyrazole (XIII) since it gave 5-methyl-1,3-diphenylpyrazole (picrate, m. 108°). XIc gave V, m. 216°, also obtained when the diazonium salt solution was heated with alc. and Gattermann Cu powder or with boiling 50% H2SO4, or was made alk. with NaOH solution XId was similarly converted through the diazonium salt VI to VII, m. 140°. XII gave red needles, m. 108°, by the above procedure but deaminating by addition of 1 g. XII, in 12 ml. AcOH to 0.3 g. NaNO2 in 1.5 ml. concentrated H2SO4 at 5°, keeping the mixture 30 min. at 5°, heating 30 min. on a steam bath with 20 ml. alc., diluting with H2O, and extracting with Et2O gave authentic 3-methyl-1-(ο-nitrophenyl)-5-phenylpyrazole, m. 104°. Reduction of the aminophenylpyrazoles with Na and alc. and evaporation, solution in concentrated H2SO4, and addition of aqueous NaNO2 according to the Knorr pyrazoline reaction procedure gave red color with XIa, XIb, XIc, and 1-(ο-aminophenyl)-3-methyl-5-phenylpyrazole (C.A. 51, 7357g), and a blue color with XIII.

The article 《Reaction between aroylacetones and arylhydrazines》 also mentions many details about this compound(13599-22-9)Computed Properties of C16H12N2O2, you can pay attention to it, because details determine success or failure

Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, Non-U.S. Gov’t, Research Support, U.S. Gov’t, Non-P.H.S., ACS Applied Materials & Interfaces called π-Conjugated Organometallic Isoindigo Oligomer and Polymer Chromophores: Singlet and Triplet Excited State Dynamics and Application in Polymer Solar Cells, Author is Goswami, Subhadip; Gish, Melissa K.; Wang, Jiliang; Winkel, Russell W.; Papanikolas, John M.; Schanze, Kirk S., which mentions a compound: 123784-07-6, SMILESS is BrC1=CC=C(C2=NC=CC=C2)S1, Molecular C9H6BrNS, Computed Properties of C9H6BrNS.

An isoindigo based π-conjugated oligomer and polymer that contain cyclometalated platinum(II) “”auxochrome”” units were subjected to photophys. characterization, and application of the polymer in bulk heterojunction polymer solar cells with PCBM acceptor was examined The objective of the study was to explore the effect of the heavy metal centers on the excited state properties, in particular, intersystem crossing to a triplet (exciton) state, and further how this would influence the performance of the organometallic polymer in solar cells. The materials were characterized by electrochem., ground state absorption, emission, and picosecond-nanosecond transient absorption spectroscopy. Electrochem. measurements indicate that the cyclometalated units have a significant impact on the HOMO energy level of the chromophores, but little effect on the LUMO, which is consistent with localization of the LUMO on the isoindigo acceptor unit. Picosecond-nanosecond transient absorption spectroscopy reveals a transient with ∼100 ns lifetime that is assigned to a triplet excited state that is produced by intersystem crossing from a singlet state on a time scale of ∼130 ps. This is the first time that a triplet state has been observed for isoindigo π-conjugated chromophores. The performance of the polymer in bulk heterojunction solar cells was explored with PC61BM as an acceptor. The performance of the cells was optimum at a relatively high PCBM loading (1:6, polymer:PCBM), but the overall efficiency was relatively low with power conversion efficiency (PCE) of 0.22%. Atomic force microscopy of blend films reveals that the length scale of the phase separation decreases with increasing PCBM content, suggesting a reason for the increase in PCE with acceptor loading. Energetic considerations show that the triplet state in the polymer is too low in energy to undergo charge separation with PCBM. Further, due to the relatively low LUMO energy of the polymer, charge transfer from the singlet to PCBM is only weakly exothermic, which is believed to be the reason that the photocurrent efficiency is relatively low.

Although many compounds look similar to this compound(123784-07-6)Computed Properties of C9H6BrNS, numerous studies have shown that this compound(SMILES:BrC1=CC=C(C2=NC=CC=C2)S1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 37943-90-1, is researched, SMILESS is P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=NC=CC=C3, Molecular C17H14NPJournal, Applied Organometallic Chemistry called The intriguing methoxycarbonylation of trimethylsilylacetylene in the presence of Drent’s catalytic system, Author is Sole, Roberto; Scrivanti, Alberto; Alam, Mahbubul Md.; Beghetto, Valentina, the main research direction is palladium phosphine catalyzed methoxycarbonylation trimethyl silylacetylene Drent catalysis; acrylate trimethylsilyl preparation.COA of Formula: C17H14NP.

The alkoxycarbonylation of trimethylsilylacetylene has been studied in order to develop an atom economic sustainable synthesis of 2-(trimethylsilyl)acrylates, a family of valuable intermediates. Pd(OAc)2 in combination with CH3SO3H and diphenyl-(pyridin-2-yl)phosphine or diphenyl-(6-methyl-pyridin-2-yl)phosphine is an active catalyst for the reaction affording mixtures of the sought 2-(trimethylsilyl)acrylate and the isomeric 3-(trimethylsilyl)acrylate. The phosphine ligand has a dramatic effect on the reaction. When employing diphenyl-(pyridin-2-yl)phosphine, it is necessary to carry out the reaction at 80° in order to observe a modest catalytic activity, and the product is an almost equimol. mixture of the two isomeric esters. On the contrary, when employing diphenyl-(6-methyl-pyridin-2-yl)phosphine, the reaction proceeds under much milder conditions affording with high rate (turnover frequency [TOF] up to 1200 h-1) and selectivity (>95%) of the sought 2-(trimethylsilyl)acrylate. The reaction conditions have been optimized, and the effects of phosphine/palladium, acid/palladium, reaction time, temperature, and CO pressure have been investigated.

Although many compounds look similar to this compound(37943-90-1)COA of Formula: C17H14NP, numerous studies have shown that this compound(SMILES:P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=NC=CC=C3), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Catalysis Communications called Thermally activated delayed fluorescence (TADF) dyes as efficient organic photosensitizers for photocatalytic water reduction, Author is Yu, Zhe-Jian; Lou, Wen-Ya; Junge, Henrik; Papcke, Ayla; Chen, Hao; Xia, Liang-Min; Xu, Bin; Wang, Ming-Ming; Wang, Xiao-Jing; Wu, Qing-An; Lou, Bai-Yang; Lochbrunner, Stefan; Beller, Matthias; Luo, Shu-Ping, which mentions a compound: 37943-90-1, SMILESS is P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=NC=CC=C3, Molecular C17H14NP, Name: Diphenyl-2-pyridylphosphine.

An efficient water reduction system was developed using thermally activated delayed fluorescence (TADF) dyes as organic photosensitizers and a palladium complex as water reduction catalyst. 2,4,5,6-tetrakis(carbazol-9-yl)-1,3-dicyanobenzene (4CzIPN) that has the best fluorescence efficiency displayed the highest photoinduced productivity (TON up to 2567) and was active for 5 days. Based on time-resolved photoluminescence experiments on the photocatalytic system, reductive quenching of the TADF dye was found as main pathway occurring before intersystem crossing takes place.

Although many compounds look similar to this compound(37943-90-1)Name: Diphenyl-2-pyridylphosphine, numerous studies have shown that this compound(SMILES:P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=NC=CC=C3), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Synthetic Route of C12H10N6. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 3,5-Di(pyridin-2-yl)-4H-1,2,4-triazol-4-amine, is researched, Molecular C12H10N6, CAS is 1671-88-1, about Inhibition effect of 3,5 bis (2-pyridil) 4-amino 1,2,4 triazole and 1-10 phenantrolin on corrosion of mild steel in acid solutions. Author is Arshadi, M. R.; Hosseini, M. G.; Ghorbani, M..

The inhibition effects of 3,5 bis (2-pyridil) 4-amino 1,2,4 triazole (NBTA) and 1-10 phenantrolin (PHEN), on corrosion of mild steel in acid solutions, (sulfuric acid and hydrochloric acid) were studied. The Tafel polarization and ac impedance techniques were employed. Results obtained reveal that both compounds are relatively good inhibitors. The inhibition efficiencies of NBTA are higher in hydrochloric acid than in sulfuric acid. This was attributed to the synergistic effect of chloride ions present in hydrochloric acid. The mechanism of inhibition of PHEN is believed to be owing to the formation of insoluble chelates between the organic mols. and atom/ion on the metal surface. The adsorption of NBTA is believed to occur through the formation of an iron-nitrogen coordinate bond. The adsorption isotherms were also determined and of the Langmuir type.

Although many compounds look similar to this compound(1671-88-1)Synthetic Route of C12H10N6, numerous studies have shown that this compound(SMILES:NN1C(C2=NC=CC=C2)=NN=C1C3=NC=CC=C3), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 3,5-Di(pyridin-2-yl)-4H-1,2,4-triazol-4-amine(SMILESS: NN1C(C2=NC=CC=C2)=NN=C1C3=NC=CC=C3,cas:1671-88-1) is researched.Related Products of 58081-05-3. The article 《Cooperative Spin Crossover and Order-Disorder Phenomena in a Mononuclear Compound [Fe(DAPP)(abpt)](ClO4)2 [DAPP = [Bis(3-aminopropyl)(2-pyridylmethyl)amine], abpt = 4-Amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]》 in relation to this compound, is published in Inorganic Chemistry. Let’s take a look at the latest research on this compound (cas:1671-88-1).

The synthesis and detailed characterization of the new spin crossover mononuclear complex [FeII(DAPP)(abpt)](ClO4)2, where DAPP = [bis(3-aminopropyl)(2-pyridylmethyl)amine] and abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole, are reported. Variable-temperature magnetic susceptibility measurements and Mossbauer spectroscopy revealed the occurrence of an abrupt spin transition with a hysteresis loop. The hysteresis width derived from magnetic susceptibility measurements is 10 K, the transition being centered at Tc↓ = 171 K for decreasing and Tc↑ = 181 K for increasing temperatures The crystal structure was resolved in the high-spin (293 and 183 K) and low-spin (123 K) states. Both spin-state structures belong to the monoclinic space group P21/n (Z = 4). The thermal spin transition is accompanied by the shortening of the mean Fe-N distances by 0.177 Å. The two main structural characteristics of [Fe(DAPP)(abpt)](ClO4)2 are a branched network of intermol. links in the crystal lattice and the occurrence of two types of order-disorder transitions (in the DAPP ligand and in the perchlorate anions) accompanying the thermal spin change. These features are discussed relative to the magnetic properties of the complex. The electronic structure calculations show that the structural disorder in the DAPP ligand modulates the energy gap between the HS and LS states. In line with previous studies, the order-disorder phenomena and the spin transition in [Fe(DAPP)(abpt)](ClO4)2 are interrelated.

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Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 3,5-Di(pyridin-2-yl)-4H-1,2,4-triazol-4-amine, is researched, Molecular C12H10N6, CAS is 1671-88-1, about In Situ Solvothermal Generation of 1,2,4-Triazolates and Related Compounds from Organonitrile and Hydrazine Hydrate: A Mechanism Study.Related Products of 1671-88-1.

The facile and effective one-pot solvothermal syntheses of 3,5-disubstituted 1,2,4-triazole and its derivatives (substituted group = alkyl, aryl, and pyridyl) through cyclocondensations of organonitriles and hydrazine hydrate in the absence/presence of metal salts have been established. By control of the solvothermal conditions and/or the addition of counter anions, different intermediates and final products were derived from various organonitriles, in which an intermediate N,N’-bis(picolinamide)azine (H4bpa) has been successfully trapped in its neutral manganese(II) complexes. A systematical study shows that, after the initial formation of 2-pyridylamidrazone from 2-cyanopyridine and hydrazine, two reaction paths are involved in the formation of 1,2,4-triazoles: via the formation of 3,6-bis(2-pyridyl)-1,2-dihydro-1,2,4,5-tetrazine and H4bpa as intermediates. The tetrazine and H4bpa paths are preferred in the absence and presence of metal ions, resp. In the presence of metal ions, metal ion binding can stabilize the tautomers, enhance the nucleophilic reactivity of the imino C atom, and inhibit the tautomerization of H4bpa, hence leading to the formation of 1,2,4-triazolates or H4bpa in complexed forms. The in situ cyclocondensation reactions of 2-pyridylamidrazone and carboxylate into asym. 3,5-disubstituted 1,2,4-triazolates under solvothermal conditions have also been observed for the first time. Crystal structures of the crystalline metal complexes have been obtained, including dinuclear [Mn2(bpt)2Cl2(H2O)2] (1) and [Mn2(bpt)2(SCN)2(H2O)2] (3; Hbpt = 3,5-bis(2-pyridyl)-4H-1,2,4-triazole), tetranuclear [Mn4(H3bpa)2(mpt)4(N3)2]·2H2O (5; Hmpt = 3-methyl-5-(2-pyridyl)-1H-1,2,4-triazole), [Mn4(H3bpa)2(pt)4(N3)2]·2C2H5OH (6; Hpt = 5-(2-pyridyl)-1H-1,2,4-triazole), and [Mn4(H3bpa)4(SCN)4]·2C2H5OH (7), as well as helical [Cu(bpt)] (2). Among them, 7 is the first example of a neutral tetranuclear [2 × 2] grid manganese(II) complex. Both 5 and 7 exhibit antiferromagnetic interactions.

Although many compounds look similar to this compound(1671-88-1)Related Products of 1671-88-1, numerous studies have shown that this compound(SMILES:NN1C(C2=NC=CC=C2)=NN=C1C3=NC=CC=C3), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem