Category: 1885-29-6

Vik, Erik C. published the artcileTransition-State Stabilization by n→π* Interactions Measured Using Molecular Rotors, SDS of cas: 1885-29-6, the main research area is Transition State stabilization Rotors NMR rotational barrier.

A series of 16 mol. rotors ,e.g. I (R= SMe), were synthesized to investigate the ability of n→π* interactions to stabilize transition states (TSs) of bond rotation. Steric contributions to the rotational barrier were isolated using control rotors, which could not form n→π* interactions. Rotors with strong acceptor π* orbitals, such as ketones and aldehydes, had greatly increased rates of rotation. The TS stabilization of up to ∼10 kcal/mol was consistent with the formation of a strong n→π* stabilization between the imide carbonyl oxygens and the ortho R group in the planar TS. Computational studies effectively modeled the TS stabilization and geometry, and NBO anal. confirmed the role of n→π* interactions in stabilizing the TS.

Journal of the American Chemical Society published new progress about Activation enthalpy. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, SDS of cas: 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Amirsoleimani, Mina published the artcileNano-sized clinoptilolite as a green catalyst for the rapid and chemoselective N-formylation of amines, Safety of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is clinoptilolite catalyst chemoselective formylation green chem.

An ultrasound-assisted, simple, fast and efficient method reported for the chemoselective N-formylation of amines with formic acid in the presence of nanozeolite clinoptilolite (nano-CP) under solvent-free reaction conditions to give the corresponding formamides. The ultrasound increased the rate of the reaction and afforded excellent yields at room temperature This method has the advantages of high yields, mild conditions, simple methodol., easy work up and short reaction times. The catalyst was characterized by different techniques, was recovered and reused several times without the significant loss of its catalytic performance.

Reaction Kinetics, Mechanisms and Catalysis published new progress about Formylation catalysts. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Safety of 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Roscales, Silvia published the artcileSynthesis of Flufenamic Acid: An Organic Chemistry Lab Sequence Using Boronic Acids and Nitrosoarenes under Transition-Metal-Free Conditions, Category: nitriles-buliding-blocks, the main research area is flufenamic boronic acid organic chem laboratory sequence nitrosoarene review.

A method for the synthesis of flufenamic acid, a nonstereoidal anti-inflammatory drug (NSAID) of the anthranilate family (fenams), is described as an experiment for the upper-division undergraduate organic chem. laboratory The key step is the formation of the diarylamine moiety of flufenamic acid by a novel reaction consisting of the coupling of nitrosobenzenes with boronic acids under transition-metal-free conditions. On the one hand, students can compare the performance of two different methods for the preparation of nitrosobenzenes (oxidation of amines and ipso-SEAr reaction on potassium organotrifluoroborates). On the other hand, they compare the yields of two complementary examples for the coupling of nitrosobenzenes with boronic acids. The reactions are followed by thin layer chromatog., and the products are purified by percolation or by column chromatog. Students are also tasked with the confirmation of the structure of the products based on m.p., IR, 1H NMR, 13C NMR, and 19F NMR spectroscopy, and MS spectrometry.

Journal of Chemical Education published new progress about Liquid chromatography. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Asskar, Ghada published the artcileGlutaconaldehyde as an Alternative Reagent to the Zincke Salt for the Transformation of Primary Amines into Pyridinium Salts., Product Details of C7H6N2, the main research area is pyridinium salt preparation primary amine glutaconaldehyde zincke.

In the presence of amines, the degradation of glutaconaldehyde in acidic medium can be prevented. By exploiting this behavior, primary amines are transformed into their corresponding pyridinium salts, including those substrates that remain unreactive toward the Zincke salt-the reagent typically used to perform this transformation. The use of glutaconaldehyde also allows controlling the nature of the counterion of the pyridinium with no need for addnl. salt metathesis reaction.

Journal of Organic Chemistry published new progress about Microwave irradiation. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Product Details of C7H6N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Onyedibe, Kenneth I. published the artcileSF5- and SCF3-substituted tetrahydroquinoline compounds as potent bactericidal agents against multidrug-resistant persister Gram-positive bacteria, SDS of cas: 1885-29-6, the main research area is pentafluorosulfanyl trifluoromethylthio substituted tetrahydroquinoline multidrug resistance; gram pos bacteria persister bactericidal agent.

Bacteria persister cells are immune to most antibiotics and hence compounds that are active against persister bacteria are needed. We screened a chem. library of SF5- and SCF3-substituted tetrahydroquinoline compounds, synthesized via the Povarov reaction, for antibacterial activity and identified active compounds that displayed good activities against many Gram-pos. bacteria, including persisters. The most potent of these compounds, HSD1835, inhibited the growth of drug-resistant Gram-pos. bacterial pathogens (including clin. strains) at concentrations ranging from 1 μg mL-1 to 4 μg mL-1. Several of the SCF3- and SF5-containing compounds were active against methicillin-resistant Staphylococcus aureus (MRSA) and against the two most fatal strains of vancomycin-resistant Enterococcus (VRE), VRE faecalis and VRE faecium. The compounds showed bactericidal activity against stationary phase persister MRSA in time-kill assays. Mechanistic studies showed that HSD1835 acts by disrupting bacterial membranes. SEM (SEM) was used to confirm bacterial membrane disruption. Interestingly, in a 30 day serial exposure experiment, MRSA remained susceptible to low-dose HSD1835 while resistance to ciprofloxacin and mupirocin emerged by day 10. Analogs of HSD1835, which did not bear the SF5 or SCF3 moieties, were inactive against bacteria. Recent reports (G.A.Naclerio, N.S.Abutaleb, K.I.Onyedibe, M.N.Seleem and H.O.Sintim, RSC Med.Chem. 2020, 11, 102-110 and G.A.Naclerio, N.S.Abutaleb, D.Li, M.N.Seleem and H.O.Sintim, J.Med.Chem. 2020, 63(20), 11934-11944) also demonstrated that adding the SF5 or SCF3 groups to a different scaffold (oxadiazoles) enhanced the antibacterial properties of the compounds, so it appears that these groups are privileged moieties that enhance the antimicrobial activities of compounds Naclerio, N. S. Abutaleb, D. Li, M. N. Seleem and H. O. Sintim, J. Med. Chem. 2020, 63(20), (11934-11944) also demonstrated that adding the SF5 or SCF3 groups to a different scaffold (oxadiazoles) enhanced the antibacterial properties of the compounds, so it appears that these groups are privileged moieties that enhance the antimicrobial activities of compounds

RSC Medicinal Chemistry published new progress about Antibacterial agents. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, SDS of cas: 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Das, Dhiraj published the artcileWater-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is dihydroxy azobenzene tautomer oscillator strength intramol proton transfer.

Herein, the phenomenon of ground-state proton transfer in a series of 2,5-dihydroxy azobenzene derivatives was studied. The mechanism of proton transfer in a dimethylacetamide (DMA)-water mixture was investigated by UV-vis spectroscopy. Time-dependent d. functional theory (TD-DFT) calculations were performed to achieve further confirmations. The intramol. hydrogen bond between the hydrogen atom of the o-hydroxyl group and the azo-group was found to be reinforced during the hydrogen transfer process. The topol. properties of the intramol. interactions were determined by atoms in mols. (AIM) calculations using the AIM2000 package. It was observed that water mols. and substitutions at the ortho-position corresponding to the azo-group facilitated the occurrence of the proton transfer mechanism in the ground state. The effect of the substitutions and water mols. was investigated by the DFT calculations

CrystEngComm published new progress about Bader electron density. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Cao, Shanshan published the artcileA mechanistic investigation into N-heterocyclic carbene (NHC) catalyzed umpolung of ketones and benzonitriles: is the cyano group better than the classical carbonyl group for the addition of NHC?, Quality Control of 1885-29-6, the main research area is ketone nitrile cyclocondensation reaction mechanism activation free energy.

D. functional theory (DFT) computations have been utilized to investigate the N-heterocyclic carbene (NHC) catalytic reaction mechanism when carbonyl and cyano compounds co-exist. The results suggested that both the carbonyl and cyano compounds can be activated by NHC, while the order of activation by the NHC depends on the substituents of the two compounds In the model reaction of NHC catalyzed cyclocondensation of cyclohexanone with 2-aminobenzonitrile, two key activation modes were explored, the new NHC activation carbon of the cyano-group (Mode II) is found to be perferred over the activation of carbonyl carbon (Mode I); this is remarkably at variance from the previous reports. More importantly, water mols. can improve the catalytic activity of NHC to some extent, especially in the Dimroth rearrangement process. The cooperative participation of the NHC and H2O catalyst is identified. Moreover, the strong quadruple hydrogen bonding interactions between water/NHC and substrates are proposed to be the origin of the high activity of NHC-H2O co-catalyzed Mode II. Addnl., these interactions stabilize the generated neg. charge on carbonyl oxygen and further strengthen the nucleophilicity of the -NH group in the NHC-H2O co-catalyzed key transition state structure, which is further confirmed by AIM and NCI analyses. This novel preferred umpolung of a cyano-group via NHC-H2O catalysis was proposed to be responsible for the exptl. observed high product yield.

Organic Chemistry Frontiers published new progress about Bader electron density. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Quality Control of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zhao, Guo-Ying published the artcileCO2 involved synthesis of quinazoline-2,4(1H,3H)-diones in water using melamine as a thermoregulated catalyst, Category: nitriles-buliding-blocks, the main research area is quinazolinedione preparation green chem; aminobenzonitrile carbon dioxide cycloaddition water melamine thermoregulated catalyst.

In this study, pharmaceutically relevant quinazoline-2,4(1H,3H)-diones were synthesized eco-efficiently by cycloaddition of CO2 and 2-aminobenzonitrile in water, catalyzed by melamine as a thermoregulated catalyst. Quinazoline-2,4(1H,3H)-dione was produced selectively with 92% yield at 120 °, 4.2 MPa, and automatically separated from the hot catalytic aqueous solution, which was reused directly for several runs until its activity decreased in an obvious manner. Then, the catalyst melamine was recrystallized from the spent aqueous solution via simple cooling and reused for another several catalytic runs. The efficient valorization of CO2 and the straightforward stepwise recovery of the products and catalyst were important to save energy and minimize process waste for the practical industrial production

Canadian Journal of Chemistry published new progress about Cycloaddition reaction. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Yang, Huiyong published the artcileSynthesis of quinazolin-4-ones through an acid ion exchange resin mediated cascade reaction, Formula: C7H6N2, the main research area is quinazolinone preparation green chem; dihydrooxazole amide preparation acid ion exchange resin cascade reaction.

An interesting cascade reaction of N-(2-(4,5-dihydrooxazol-2-yl)phenyl)benzamide I (R1 = Ph, 2-naphthyl, 2-furyl, 2-thiophenyl, adamantan-1-yl, etc.; R2 = H, 3-F, 4-OMe, 5-Me, etc.) in the presence of an acid ion exchange resin is described. In this reaction, a range of substrates bearing various substituent groups are well compatible. This work provides a green and atom-economical alternative approach for the synthesis of quinazolin-4-ones II (R3 = H, 5-F, 6-OMe, 7-Me, etc.) in good yields.

Organic & Biomolecular Chemistry published new progress about Acidic ion exchangers. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Formula: C7H6N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Brand, Yaneth M. published the artcileCombretastatin A-4: the antitubulin agent that inspired the design and synthesis of styrene and spiroisatin hybrids as promising cytotoxic, antifungal and antiviral compounds, Safety of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is combretastatin A4 antitubulin antifungal antiviral agent cytotoxicity.

The design of a series of styrene and spiroisatin hybrids was based on the structure of combretastatin A-4 1. This library of 20 compounds were synthesized with the pharmacophoric units: 3,4,5-trimethoxy or/and 4-hydroxy-3-methoxy Ph moities in their structure. Thereby, the libraries of beta-nitrostyrenes 10a-10c, spiroisatin-dihydroquinolines 14a-14c, spiroisatinthiazolidinones 17a-17c and spiroisatin-nitropyrrolizidines 20a-20k were evaluated for their in vitro cytotoxic, anti-proliferative, antifungal and antiviral activities. Biol. results revealed that among these compounds, beta-nitrostyrenes 10a-10c exhibited significant cytotoxicity (HeLa and Jurkat tumor cells) and antifungal (T. mentagrophytes) activities. Moreover, the spiroisatindihydroquinoline 14a and 14c showed promising cytotoxicity (U937 cells). 14a-14c mols. were active against human herpesviruses serotypes 1 and 2 (HHV-1 and HHV-2), but only 14a and 14b were effective against dengue virus serotype 2 (DENV-2). The spiroisatin-nitropyrrolizidine 20c exhibited moderate anti-herpetic activity, while 17c spiroisatin-thiazolidinone derivative also reduced the infection of HHV-1 and DENV-2. Finally, the mol. docking showed that these kind of mols. interact with the subunit a/beta-tubulin.

Journal of the Brazilian Chemical Society published new progress about Acute T-cell leukemia. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Safety of 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts