Tag: M.W=50-100

Sumrra, Sajjad Hussain published the artcileComputational investigation of molecular structures, spectroscopic properties, cholinesterase inhibition and antibacterial activities of triazole Schiff bases endowed metal chelates, SDS of cas: 1455-77-2, the main research area is triazoldiamine salicylaldehyde derivative electronic structure antibacterial enzyme inhibition activity; transition metal triazole Schiff base preparation antibacterial enzyme inhibition.

The aim of this project was to introduce novel bioactive compounds through the design and synthesis of two mono-Schiff bases, 4- [(5-amino-1H-1,2,4-triazol-3-yl)imino]methylbenzene-1,3-diol (L1) and 2-[(5-amino-1H-1,2,4-triazol-3-yl)imino]methyl-6-methoxyphenol (L2) and one bis-Schiff base, 2,2′-{1H-1,2,4-triazole-3,5-diylbis[nitrilomethylylidene]}bis(6-methoxyphenol) (L3) together with their complexes of transition metals [VO(IV), Cr(III), Mn(II), Fe(II), Co(II), Ni(II), Cu(II), and Zn(II)]. The mol. structures of as-synthesized Schiff bases were explicitly confirmed by phys., spectral, anal. and computational studies. Quantum chem. calculations based on d. functional theory (DFT) were performed at B3LYP/6-311+G(d.p) level to explore the optimized geometrical structures, mol. electrostatic potential (MEP), Mulliken at. charges (MAC) and frontier MO (FMO) anal. of the as-synthesized ligands. The FMO energy gaps were rationalized to be 0.162, 0.158 and 0.138 eV for ligands (L1), (L2) and (L3), resp. which can efficiently polarize their chem. structures. As-synthesized metal complexes have good agreement with their purposed structures with octahedral geometry except V complexes, which have square pyramidal geometry. As-synthesized compounds were also evaluated through TG and fluorescence anal. Addnl., the compounds were also scrutinized for antibacterial activity against five bacterial strains (Halomonas halophila, Chromohalobacter israelensis, Escherichia coli, Chromohalobacter salexigens and Halomonas salina) and enzyme inhibition bioassay against butyrylcholinesterase (BChE) and acetylcholinesterase (AChE). The complexes (15) and (1) were the most active inhibitors of BChE and AChE enzymes with 94.60% and 90.90% activity, resp. Also, all the compounds also exhibited significant antibacterial activity. The metal complexes displayed more biol. activity in contrary to parent ligands as a result of chelation.

Journal of Molecular Structure published new progress about Antibacterial agents. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, SDS of cas: 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Sumrra, Sajjad H. published the artcileEfficient synthesis, characterization, and in vitro bactericidal studies of unsymmetrically substituted triazole-derived Schiff base ligand and its transition metal complexes, Synthetic Route of 1455-77-2, the main research area is unsym triazole Schiff base ligand transition metal preparation antibacterial; furanylethylideneamino triazolyliminophenol Schiff base preparation transition metal complexation; mol structural calculation furanylethylideneamino triazolyliminophenol Schiff base transition metal.

In the present research, novel unsym. substituted triazole-derived Schiff base ligand 2-[[[5-[[1-(5-methylfuran-2-yl)ethylidene]amino]-1H-1,2,4-triazol-3-yl]imino]methyl]phenol (L) has been synthesized by the reaction of 1,2,4-triazole-3,5-diamine with 2-hydroxybenzaldehyde and with 5-methyl-2-acetylfuran in an equimolar ratio. The synthesized ligand L was characterized by phys. methods (m.p., solubility, color) as well as by spectral techniques (IR, UV-Vis, 1H NMR, 13C NMR, and MS), elemental anal., and computational studies. Computational anal. further elucidated the structure, polarity, stability, and nature of the ligand. The bivalent(II), trivalent(III), and tetravalent(IV) transition metal complexes were formed by reacting Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), and Cr(III) metals as chloride and, VO(IV) as sulfate with Schiff base ligand L in 1:2 (M:L) molar ratio. Ligand was coordinated with the metal ions, VO via benzaldehyde-O and azomethine-N and with Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), and Cr(III) via benzaldehyde-O, azomethine-N, and triazole-N. The structure of the metal complexes was deduced by IR, conductance, magnetic moments, and elemental anal. Biol. evaluation of triazole-derived Schiff base ligand and its metal complexes was carried out against bacterial strains, Escherichia coli, Staphylococcus aureus, Neisseria gonorrhea, and Pseudomonas syringae. Copper complex showed the highest inhibition against all bacterial strains as compared to the free ligand and amongst other metal complexes. In vitro antibacterial studies thus concluded that the prepared ligand showed bioactivity which was enhanced upon chelation/coordination with the metal ions.

Monatshefte fuer Chemie published new progress about Antibacterial agents. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Synthetic Route of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Kuley, Esmeray published the artcileInhibitory activity of Co-microencapsulation of cell free supernatant from Lactobacillus plantarum with propolis extracts towards fish spoilage bacteria, Product Details of C2H6N2O, the main research area is propolis extract microencapsulation fish spoilage bacteria Lactobacillus.

Antibacterial properties of microencapsulated Lactobacillus plantarum cell-free supernatant (CFS) in combinations with aqueous or ethanolic propolis extract at doses of 1% against fish spoilage bacteria were investigated. Microencapsulated samples contained more than 17 compounds, of which furyl alc., acetic acid, maltol, and 2(5H) furanon were identified as common compounds The effects of microencapsulated CFS from L. plantarum in combination with or without propolis extracts on the fish spoilage bacteria varied according to the bacterial species. Among the fish spoilage bacteria, the highest antimicrobial activity of samples was observed against P. damselae with >15.5 mm inhibition diameter zone. Pure and microencapsulated CFS from L. plantarum showed the lowest antimicrobial effects on P. mirabilis with a corresponding inhibition diameter zone of 8.33 and 8.00 mm. Microencapsulated CFS from L. plantarum in combination with aqueous propolis extract had 25 mg/mL of MIC and 50 mg/mL of MBC on all bacteria although the bactericidal effect of microencapsulated samples in combination with ethanolic propolis extract occurred at a level of above 50 mg/mL. The study results revealed that co-microencapsulation of CFS obtained from L. plantarum with propolis extract, especially its aqueous extract, could be potentially used as antimicrobial agents to overcome microbial growth in foods.

LWT–Food Science and Technology published new progress about Antibacterial agents. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Product Details of C2H6N2O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Angell, Michael published the artcileIonic Liquid Analogs of AlCl3 with Urea Derivatives as Electrolytes for Aluminum Batteries, Category: isoquinoline, the main research area is ionic liquid aluminum chloride urea electrolyte aluminum graphite battery.

The ionic liquid analog, formed through the mixture of urea and AlCl3, has previously shown to serve as a low-cost electrolyte for an aluminum-graphite battery, while maintaining good performance and achieving high Coulombic efficiency. Undesirable are the relatively high viscosity and low conductivity of this electrolyte, when compared to chloroaluminate ionic liquids with organic cations. In this work, the fundamental changes to the electrolyte resulting from using derivatives of urea (N-Me urea and N-Et urea), again mixed with AlCl3, are examined These electrolytes are shown to have significantly lower viscosities (η = 45, 67, and 133 cP when using N-Et urea, N-Me urea, and urea, resp., at 25°). The associated batteries exhibit higher intrinsic discharge voltages (2.04 and 2.08 V for N-Me urea and N-Et urea electrolytes, resp., vs. 1.95 V for urea system@100 mA g-1 specific current for â‰?5 mg cm-2 loading), due to changes in concentrations of ionic species. Aluminum deposition is directly observed to primarily occur through reduction of Al2Cl7- when AlCl3 is present in excess, in contrast to previously suggested cationic Al-containing species, via operando Raman spectroscopy performed during cyclic voltammetry.

Advanced Functional Materials published new progress about Battery electrolytes. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Garcias-Morales, Cesar published the artcileSynthesis and physicochemical characterization of Schiff bases used as optical sensor for metals detection in water, Computed Properties of 1455-77-2, the main research area is synthesis physicochem characterization Schiff base optical sensor metal detection.

In this work, chem. mechanic synthesis of six imines is reported, chem. structure and optical characterization is described. The imines 3a-3f were evaluated as colorimetric chem. sensors of metals: Ba2+, Co2+, Fe2+, Mg2+, Ni2+, Pb2+, Zn2+, Cd2+, Hg2+, Cu2+, Sn2+ and Cs+ where 3e being a highly selective colorimetric chem. sensor for Cu2+. The limit detection of the sensor was determined through the titration, which turned out to be 4.9 x 10-6 M with a Ka of 8.264 x 103 M-1. Also, the interference of detection in a mixture of metals was studied. Finally, by the use of IR, NMR, and DFT calculations, the structure of the 3e + M complex formed, and the phenomenon responsible for the color change was determined Finally, a possible relationship between the selectivity to metal ions and the HOMO energy levels of the mols. is proposed, being a basis for the design of smart organic sensors

Journal of Molecular Structure published new progress about Colorimetric sensors. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Computed Properties of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Bakibaev, Abdigali A. published the artcileSynthesis of glycolurils and hydantoins by reaction of urea and 1, 2-dicarbonyl compounds using etidronic acid as a “”green catalyst””, Formula: C2H6N2O, the main research area is glycoluril green preparation; hydantoin green preparation; urea dicarbonyl compound condensation etidronic acid catalyst.

A new, rather simple and efficient method for the synthesis of a number of glycoluryls I [R1 = H, Me; R2 = H, Me; R3 = H, Me, Ph; R4 = H, Me, Ph] and hydantoins II [R5 = H, Me] in water using a etidronic acid (HEDP) as green catalyst was developed. So, for the first time, the condensation reaction of ureas with 1,2-dicarbonyl compounds was carried out in the presence of HEDP. Also based on NMR studies, a chemism of these reactions, which is stepwise, was proposed. The remaining aqueous filtrate containing HEDP after the reaction could be reused for other cycles synthesis of glycoluril and other compounds, because HEDP was not converted during the reaction.

Journal of Heterocyclic Chemistry published new progress about Condensation reaction. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Formula: C2H6N2O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Peng, Panpan published the artcileSynthesis of energetic salts containing three heterocyclic anions by a one-pot condensation reaction, Application of 3,5-Diamino-1,2,4-triazole, the main research area is energetic salt heterocyclic anion preparation one pot reaction safety.

Heterocyclic energetic salts are extensively used in energetic materials due to their excellent mol. designability. Generally, most inorganic or organic anionic energetic ionic salts contain only one anion or two anions at most. Thus far, energetic ion salts containing three organic energetic anions have not been reported. In this study, we develop a new method for the preparation of energetic ion salts containing three heterocyclic anions via a one-step one-pot condensation reaction. The proposed strategy is based on aldehydes, aminoguanidine salts, and heterocyclic energetic ionic salts. In this work, energetic salt 1 containing three 5-nitrotetrazole anions and energetic salt 2 containing three 3,5-dinitro-1,2,4-triazole anions were successfully synthesized. The results of NMR, IR, and MS proved that the products (1 and 2) contain three heterocyclic anions. The energetic test results indicate that products 1 and 2 have extremely high decomposition temperatures (250 °C and 308 °C) and exhibit low sensitivities (for both 1 and 2, FS > 360 N, IS > 40 J). Meanwhile, their detonation velocities (7306 m s-1 and 7375 m s-1) and detonation pressures (18.3 GPa and 19.7 GPa) are better than those of TNT. This indicates that 1 and 2 have great potential to be applied as heat-resistant insensitive explosives. In addition, the X-ray diffraction results of the non-energetic, p-toluenesulfonic acid anions of product 3 not only further verify the structure of the three heterocyclic anions mentioned above, but also confirm the universality of this method.

New Journal of Chemistry published new progress about Condensation reaction. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Application of 3,5-Diamino-1,2,4-triazole.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Peng, Panpan published the artcileSynthesis of energetic salts containing three heterocyclic anions by a one-pot condensation reaction, Formula: C2H5N5, the main research area is energetic salt heterocyclic anion preparation one pot reaction safety.

Heterocyclic energetic salts are extensively used in energetic materials due to their excellent mol. designability. Generally, most inorganic or organic anionic energetic ionic salts contain only one anion or two anions at most. Thus far, energetic ion salts containing three organic energetic anions have not been reported. In this study, we develop a new method for the preparation of energetic ion salts containing three heterocyclic anions via a one-step one-pot condensation reaction. The proposed strategy is based on aldehydes, aminoguanidine salts, and heterocyclic energetic ionic salts. In this work, energetic salt 1 containing three 5-nitrotetrazole anions and energetic salt 2 containing three 3,5-dinitro-1,2,4-triazole anions were successfully synthesized. The results of NMR, IR, and MS proved that the products (1 and 2) contain three heterocyclic anions. The energetic test results indicate that products 1 and 2 have extremely high decomposition temperatures (250 °C and 308 °C) and exhibit low sensitivities (for both 1 and 2, FS > 360 N, IS > 40 J). Meanwhile, their detonation velocities (7306 m s-1 and 7375 m s-1) and detonation pressures (18.3 GPa and 19.7 GPa) are better than those of TNT. This indicates that 1 and 2 have great potential to be applied as heat-resistant insensitive explosives. In addition, the X-ray diffraction results of the non-energetic, p-toluenesulfonic acid anions of product 3 not only further verify the structure of the three heterocyclic anions mentioned above, but also confirm the universality of this method.

New Journal of Chemistry published new progress about Condensation reaction. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Formula: C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Baranov, Vladimir V. published the artcileA first synthesis of 8- and 8,10-substituted barbiturils and their thio analogues, Recommanded Product: 1-Methylurea, the main research area is barbituril preparation; alkyl urea formaldehyde barbituric acid multicomponent condensation.

Multicomponent condensations of alkyl(thio)ureas R1NHC(=X)NHR2 (R1 = Me, Et; R2 = H, Me, Et; X = O, S), formaldehyde and (thio)barbituric acids as 1,3-diazinane-2,4,6-trione, 2-sulfanylidene-1,3-diazinane-4,6-dione afford new spiro heterocyclic compounds, I (Y = O, S) viz., 8- and 8,10-substituted 2,4,8,10-tetraazaspiro[5.5]undecane-1,3,5,9-tetraones (barbiturils) and their thio analogs.

Mendeleev Communications published new progress about Condensation reaction. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Recommanded Product: 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Bakibaev, Abdigali A. published the artcileSynthesis of glycolurils and hydantoins by reaction of urea and 1, 2-dicarbonyl compounds using etidronic acid as a “”green catalyst””, Formula: C2H6N2O, the main research area is glycoluril green preparation; hydantoin green preparation; urea dicarbonyl compound condensation etidronic acid catalyst.

A new, rather simple and efficient method for the synthesis of a number of glycoluryls I [R1 = H, Me; R2 = H, Me; R3 = H, Me, Ph; R4 = H, Me, Ph] and hydantoins II [R5 = H, Me] in water using a etidronic acid (HEDP) as green catalyst was developed. So, for the first time, the condensation reaction of ureas with 1,2-dicarbonyl compounds was carried out in the presence of HEDP. Also based on NMR studies, a chemism of these reactions, which is stepwise, was proposed. The remaining aqueous filtrate containing HEDP after the reaction could be reused for other cycles synthesis of glycoluril and other compounds, because HEDP was not converted during the reaction.

Journal of Heterocyclic Chemistry published new progress about Condensation reaction. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Formula: C2H6N2O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem