Tag: M.W=150-200

Almalki, Ahmad J. published the artcileStructure fragmentation studies of ring-substituted N-trifluoroacetyl-N-benzylphenethylamines related to the NBOMe drugs, Quality Control of 86-51-1, the main research area is structure fragmentation ring substituted trifluoroacetyl benzylphenethylamine NBOMe drug.

The halogenated derivatives of N-(2-methoxy)benzyl-2,5-dimethoxyphenethylamine (25-NBOMe) such as the 4-bromo analog (25B-NBOMe) represent a new class of hallucinogenic or psychedelic drugs. The purpose of this study was to determine the role of the electron-donating groups (halogen and dimethoxy) in the pathway of decomposition for the distonic mol. radical cation in the electron ionization mass spectrometry (EI-MS) process of the trifluoroacetamide (TFA) derivatives The systematic removal of substituents from the 4-halogenated 2,5-dimethoxyphenethylamine portion of the N-dimethoxybenzyl NBOMe analogs allowed an evaluation of structural effects on the formation of major fragment ions in the EI-MS of the TFA derivatives All six regioisomeric dimethoxybenzyl-substituted analogs (2,3-, 2,4-, 2,5-, 2,6-, 3,4- and 3,5-dimethoxy) for the four series of phenethyl aromatic ring substitution patterns were prepared, derivatized and analyzed via gas chromatog. coupled with EI-MS. The analogs yield two unique radical cation fragments from the decomposition of the common distonic mol. radical cation. The substituted phenylethene radical cation (m/z 164) is the base peak or second most abundant ion in all six TFA-2,5-dimethoxyphenethylamine isomers. The dimethoxybenzyltrifloroacetamide radical cation (m/z 263) is the base peak or second most abundant ion in the 2- and 3-monomethoxyphenethylamine isomers. However, the 2- and 3-methoxyphenylethene radical cation (m/z 134) is among the five most abundant ions for each of these twelve isomers. Only one isomer in the phenethylamine series yields the corresponding unsubstituted phenylethene radical cation at m/z 104. The decomposition of the hydrogen-rearranged distonic mol. radical cation favors formation of the dimethoxybenzyltrifloroacetamide (m/z 263) species for the less electron-rich phenethyl aromatic rings. The addition of electron-donating groups to the aromatic ring of the phenethyl group as in the NBOMe-type mols. shifts the decomposition of the common distonic mol. radical cation to favor the formation of the electron-rich substituted phenylethene radical cation.

Rapid Communications in Mass Spectrometry published new progress about Electron ionization mass spectra. 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, Quality Control of 86-51-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Almalghrabi, Mohammad published the artcileGC-MS and GC-IR of regioisomeric 4-N-methoxy- and dimethoxybenzyl derivatives of 3-trifluoromethylphenylpiperazine, SDS of cas: 86-51-1, the main research area is trifluoromethylphenylpiperazine preparation fragmentation mechanism mass spectrum.

A series of nine N,N-disubstituted piperazines were synthesized containing the structural elements of 3-trifluoromethylphenylpiperazine (3-TFMPP) in combination with each of the three regioisomeric monomethoxybenzyl-, and six regioisomeric dimethoxybenzyl substituents to yield the nine N,N-disubstituted piperazine compounds These nine potential designer drug analogs were prepared based on common designer modifications of the known novel psychoactive substance 3-TFMPP and compared in GC-MS and GC-IR studies. The GC separation on an Rxi-17Sil MS stationary phase showed the regioisomers of the methoxybenzyl to elute according to the position of aromatic ring substitution with the 2- isomer eluting before the 3-isomer and the 4- methoxybenzyl isomer eluting last. The six regioisomeric dimethoxybenzyl analogs eluted according to the degree of substituent crowding with the 2,3- and 2,6-isomers eluting first and the 3,5-isomer last. Numerous EI mass spectral fragment ions occur via processes initiated by one of the two nitrogen atoms of the piperazine ring. The major EI-MS fragment ions are at m/z 229 observed in all nine spectra occurs from the loss of the substituted benzyl radical and the m/z 56 cation (C3H6N)+ originates from the piperazine ring. Other characteristic fragments containing the benzyl portion of these analogs show a 30 Da variation based on the number of methoxy group substituents. The relative intensity of ions in the methoxybenzyl series as well as some unique ions in the dimethoxybenzyl series provides initial points of preliminary differentiation. These results coupled with characteristic vapor phase IR spectra allow for the identification of each regioisomer.

International Journal of Mass Spectrometry published new progress about Electron ionization mass spectra. 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, SDS of cas: 86-51-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Xiong, Jingwen published the artcileRecyclable fluorescent chemodosimeters based on 8-hydroxyquinoline derivatives for highly sensitive and selective detection of mercury(II) in aqueous media and test strips, COA of Formula: C9H10O3, the main research area is recyclable fluorescent chemodosimeter ratiometric turn on; Fluorescent chemodosimeters; Ratiometric; Recyclable; Turn-on.

Four novel highly selective 8-hydroxyquinoline-based fluorescent chemodosimeters (1-4) were synthesized for the rapid anal. of Hg2+ in aqueous solution and on paper strips, which probably attributed to the excited state intramol. proton transfer (ESIPT) process. Chemodosimeter 1 was evaluated as a Hg2+-ratiometric fluorescent sensor while others (2, 3 and 4) displayed fluorescence turn-on response for Hg2+ among the various survey metal ions. We demonstrated that chemodosimeters (1-4) could recognized Hg2+ ions based on a 1:1 stoichiometric binding event with fast detection time. More importantly, the detection limits for Hg2+ could reach at 10-9 M level except chemodosimeter 1 (4.05 × 10-8 M). In addition, it was found that chemodosimeters (1-4) were recycled efficiently because the Hg2+ induced emission spectra were reversed after adding NaBH4. Finally, these four sensors were successfully applied for fabrication of simple device test strips for rapid and on-site detection of Hg2+ ions.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Environmental pollution, mercury. 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, COA of Formula: C9H10O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Su, Ja-An published the artcileCarbon-13 NMR studies of quinolines and isoquinolines. II. Chlorine-nitrogen interactions and N-oxide effects, SDS of cas: 70810-23-0, the main research area is NMR carbon quinoline isoquinoline.

The 13C NMR shifts were assigned for chloro-, dichloro-, and chloromethylquinolines and -isoquinolines and some of their N-oxides. Cl substituent chem. shifts are reported for α, ortho, meta, para, and peri positions. Consistent patterns were observed for the para and peri positions, a vinylogous ortho pattern is reported and the additivity of the substituent chem. shifts demonstrated. The steric and N lone pair contributions which modify the normal Cl substituent chem. shifts, were determined and these contributions shown to be additive. Large upfield shifts were observed for the carbons ortho and para to the N-oxide group. Substituent chem. shifts are essentially the same for the N-oxides as for the parent heterocycles and are additive except where the substituent is ortho to the N-oxide moiety in which case substantial interactions are involved.

Organic Magnetic Resonance published new progress about NMR (nuclear magnetic resonance). 70810-23-0 belongs to class isoquinoline, name is 1,5-Dichloroisoquinoline, and the molecular formula is C9H5Cl2N, SDS of cas: 70810-23-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Xinchao published the artcileNative carboxyl group-assisted C-H acetoxylation of hydrocinnamic and phenylacetic acids, COA of Formula: C9H10O3, the main research area is acid preparation; hydrocinnamic acid iodosobenzene diacetate acetoxylation palladium catalyst; phenylacetic acid iodosobenzene diacetate acetoxylation palladium catalyst.

A method of native carboxyl-assisted, Pd(II)-catalyzed ortho-C-H acetoxylation of both hydrocinnamic and phenylacetic acids 2-R-3-R1-4-R2C6H2CH(R3)CH2C(O)OH (R = H, Me, Cl, OCF3, etc.; R1 = Me, Br, CF3, etc.; R2 = Me, F, COOMe, etc.; R3 = H, Me, Et)/2-R4-3-R5-4-R6-5-R7C6HC(R8)(R9)C(O)OH (R4 = H, Me, I, etc.; R5 = H, OMe, CF3, etc.; R6 = F, OMe, COOMe, etc.; R7 = R8 = R8 = H, Me) that can be found in many biol. active mols. as the key moieties was reported. Based on the broad scope and the application potential showcased with drug mols., such as (ibuprofen, ketoprofen, and flurbiprofen) it is anticipated that this C-H acetoxylation reaction will find attractive applicability in future synthetic endeavors.

Chemical Communications (Cambridge, United Kingdom) published new progress about Acetoxylation (carbon-hydrogen). 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, COA of Formula: C9H10O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Gao, Xianli published the artcileAccelerating aroma formation of raw soy sauce using low intensity sonication, Computed Properties of 21834-92-4, the main research area is Zygosaccharomyces Tetragenococcus sonication aroma; Aroma compound; Sonication; Soy sauce; Tetragenococcus halophilus; Zygosaccharomyces rouxii.

Sonication was applied to accelerate aroma formation and shorten fermentation time of soy sauce. Effects of sonication at 68 kHz on the aroma and aroma-producing Zygosaccharomyces rouxii and Tetragenococcus halophilus in moromis were investigated using sensory evaluation, SPME-GC-olfactometry/MS, viable cell counting and SEM. The sensory scores of caramel-like, fruity, alc., floral, malty, smoky, sour and overall aroma in sonicated moromis were enhanced by 23.4%, 23.2%, 13.6%, 12.8%, 7.6%, 6.3%, 5.6% and 14.4%, resp. Sensory scores of samples fermented for 90-180 days were higher than those of controls fermented for 180 days, suggesting that sonication could reduce fermentation time by 90 days. Thirty-four aroma-active compounds were detected from 85 volatile compounds in soy sauces. Sonication accelerated and elevated the formation of aroma compounds by chem. reactions. It also markedly increased the reproduction and cell permeability of both microorganisms in moromis, which favored the formation of aroma compounds by both strains.

Food Chemistry published new progress about Flavoring materials, caramel flavor. 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Computed Properties of 21834-92-4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Cheng, Wei-Chieh published the artcileRapid Synthesis of a Natural Product-Inspired Uridine Containing Library, COA of Formula: C9H10O3, the main research area is antibacterial morphol bacterial Bacillus subtilis nucleoside uridine preparation; click alkyne azide triazole cycloaddition catalyst preparation Bacillus subtilis; nucleoside uridine combinatorial library urea amide click preparation; chemical space; combinatorial chemistry; natural product-inspired nucleosides; semiautomated synthesis; uridine-containing library.

The preparation of natural product-inspired nucleoside analogs, e.g. I, using solution-phase parallel synthesis is described. The key intermediates containing alkyne and N-protected amino moieties were developed to allow for further skeleton and substituent diversity using click chem. and urea or amide bond formation. Rapid purification was accomplished using solid-phase extraction The obtained library comprised 80 mols. incorporating two diversity positions and one chiral center, each of which was efficiently prepared in good purity and acceptable overall yield. A bacterial morphol. study was also performed. None of the synthesized compounds were found to exhibit antibacterial activity against Gram-neg. bacterial strains such as A. baumannii at a concentration of 100μm, presumably because they could not penetrate the bacterial membranes (data not shown).

ACS Combinatorial Science published new progress about 1,3-Dipolar cycloaddition reaction. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, COA of Formula: C9H10O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Thanh, Nguyen Dinh published the artcileEfficient click chemistry towards novel 1H-1,2,3-triazole-tethered 4H-chromene-D-glucose conjugates: Design, synthesis and evaluation of in vitro antibacterial, MRSA and antifungal activities, Related Products of isoquinoline, the main research area is benzaldehyde chromene glucose click antibacterial aminoglycoside preparation human; chromene glucose click antibacterial antifungal MRSA crystal structure aminoglycoside; antifungal MRSA click alkyne azide triazole cycloaddition catalyst preparation; 1H-1,2,3-Triazoles; 2-Amino-4H-chromene-3-carbonitriles; Antibacterial; Antifungal; Click chemistry; Cu@MOF-5; Cytotoxicity; Propargyl ether; Sugar azide.

The series of 2-amino-7-propargyloxy-4H-chromene-3-carbonitriles were synthesized from corresponding 2-amino-7-phydroxy-4H-chromene-3-carbonitriles and propargyl bromide. Two procedures were used in these syntheses: K2CO3/acetone and NaH/DMF procedures with yields of 65-89% and 80-96%, resp. 1H-1,2,3-triazole-tethered 4H-chromene-D-glucose conjugates were synthesized using click chem. of propargyl ethers and tetra-O-acetyl-β-D-glucopyranosyl azide. CuMOF-5 was the optimal catalyst for this chem. The yields of 1H-1,2,3-triazoles were 80-97.8%. All triazole glycosides were evaluated in vitro for anti-microorganism activities. Among tested compounds with MIC values of 1.56-6.25 μM, there were four compounds against B. subtilis, four compounds against S. aureus, and four compounds against S. epidermidis; five compounds against E. coli, four compounds against K. pneumoniae, five compounds against P. aeruginosa, and six compounds against S. typhimurium. Some title compounds had MIC values of 1.56-6.25 μM for three clin. methicillin resistant Staphylococcus aureus (MRSA) isolates. Some compounds had inhibitory activities against four fungi, including A. niger, A. flavus, C. albicans, and S. cerevisiae, with MIC values of 1.56-6.25 μM. Some 1H-1,2,3-triazoles had comparatively low toxicity against RAW 264.7 cells.

European Journal of Medicinal Chemistry published new progress about 1,3-Dipolar cycloaddition reaction. 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, Related Products of isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Boxer, Matthew B. published the artcileSuper Silyl Group for a Sequential Diastereoselective Aldol-Polyhalomethyllithium Addition Reaction, COA of Formula: C11H12O3, the main research area is diastereoselective aldol polyhalomethyllithium addition reaction super silyl group.

The super silyl group governs high diastereoselectivity and yields for a sequential aldol-polyhalomethyllithium addition reaction. This unique silyl group is necessary to obtain the diastereoselectivities associated with this sequential reaction, capable of generating two new stereocenters, e.g. I. α-Polyhalomethylcarbinols are generated with the simple and inexpensive dihalomethanes and trihalomethanes.

Organic Letters published new progress about Addition reaction, stereoselective. 1205-17-0 belongs to class isoquinoline, name is 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde, and the molecular formula is C11H12O3, COA of Formula: C11H12O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Arsene, Sobinson published the artcileImidazo[2,1-a]isoindole scaffold as an uncharted structure active on Leishmania donovani, SDS of cas: 104-01-8, the main research area is imidazoisoindoles leishmanicidal Leishmania infection energy metabolism; Antileishmanial activity; Energy metabolism; Imidazoisoindolols.

The human protozoan parasites Leishmania donovani and L. infantum are the causative agents of visceral leishmaniasis, as such, responsible for approx. 30,000 deaths annually. The available chemotherapeutic treatments are reduced to a few drugs whose effectiveness is limited by rising drug resistance/therapeutic failure, and noxious side-effects. Therefore, new therapeutic hits are needed. Compounds displaying the imidazo[2,1-a]isoindole skeleton have shown antichagasic, anti-HIV, antimalarial and anorectic activities. Here, we report the leishmanicidal activity of thirty one imidazo[2,1-a]isoindol-5-ol derivatives on promastigotes and intracellular amastigotes of L. donovani. Eight out of thirty one assayed compounds showed EC50 values ranging between 1 and 2 μM with selectivity indexes from 29 to 69 on infected THP-1 cells. Six compounds were selected for further elucidation of their leishmanicidal mechanism. In this regard, compound 29, the imidazoisoindolol with the highest activity on intracellular amastigotes, induced an early decrease of intracellular ATP levels, as well as mitochondrial depolarization, together with a partial plasma membrane destructuration, as assessed by TEM. Consequently, the inhibition of the energy metabolism of Leishmania plays an important role in the leishmanicidal mechanism of this compound, even when other addnl. targets cannot be ruled out. In all, the results supported the inclusion of the imidazoisoindole scaffold for the development of new leishmanicidal drugs.

European Journal of Medicinal Chemistry published new progress about Development, microbial, amastigote. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, SDS of cas: 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem