Category: 100-70-9

Huamani, Luis Enrique Santa Cruz published the artcileRole of Protonation and Isomerism in the Supramolecular Architectures of Heteroaryl-2-imidazole Compounds: Crystal Packing Patterns and Energetics, Name: Picolinonitrile, the main research area is azaarylimidazole isomer crystal structure packing protonation.

The influence of isomerism and protonation on crystal packing patterns of three isomeric heteroaryl-2-imidazoles and one related compound was investigated by using single-crystal X-ray diffraction and d. functional theory. The comparison of their crystal structures helped unveil the details of the energetic balance controlling supramol. packing and an unprecedented supramol. synthon. The neutral species were featured by a whole crystal close packing like a herringbone pattern, which was mainly favored by C-H···π interactions. On the other hand, the crystal packing of the protonated species was characterized by π-stacking layers being supported by π···π and anion-π interactions. Energy framework anal. revealed that both Coulombic interactions between hydrogen bond chains and dispersion energies mainly contributed to the stabilization of the herringbone pattern assembly, whereas a predominant contribution from Coulombic energy frameworks to total energy in protonated forms was observed The different patterns displayed pieces of evidence of not only the important participation of the heteroaryl moieties in the supramol. assembly but also the significant contribution of protonation hampering the N-H···N hydrogen bonding interactions in the imidazole group. A thorough characterization of the compounds by means of thermogravimetric anal., differential scanning calorimetry, Fourier-transform IR spectroscopy, NMR, and electrospray ionization-(+)-MS is also presented. The most characteristic crystal packing patterns of a series of N-heteroaryl-2-imidazole systems has been observed and analyzed. Neutral forms tend to pack in a herringbone pattern, whereas protonated forms tend to pack in parallel π-stacked layers. The imidazole fragments dominate the construction of the supramol. architectures through complex hydrogen bond networks. An unprecedented supramol. synthon was also found for one of the supramol. arrangements, and the energetics involved in the crystal packings was also assessed by theor. methods.

Crystal Growth & Design published new progress about Amines, salts Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Name: Picolinonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Magli, Elisa published the artcileSynthesis, docking studies, and pharmacological evaluation of 5HT2C ligands containing the N’-cyanoisonicotinamidine or N’-cyanopicolinamidine nucleus, Computed Properties of 100-70-9, the main research area is cyanoisonicotinamidine cyanopicolinamidine depression antidepressant anxiety anxiolytic psychosis antipsychotic 5HT2C; 5-HT1A, 5-HT2A, and 5-HT2C ligands; arylpiperazine derivatives; behavioral tests; binding assays, in vitro assay.

N’-Cyanoisonicotinamidine and N’-cyanopicolinamidine derivatives, linked to an arylpiperazine moiety, were prepared and their affinities to the 5-HT1A, 5-HT2A, and 5-HT2C receptors were evaluated. Several of the newly synthesized compounds, tested by binding studies, showed nanomolar affinity at the 5-HT1A and 5-HT2C receptors and moderate or no affinity for other relevant receptors (D1, D2, α1, and α2). Compound 8e(I) (Ki = 21.4 nM) was the most affine for the 5-HT2C receptor, showing, at the same time, a high selectivity with respect to the other receptors analyzed. Compounds 4a(II) and 4c(III), instead, showed an interesting mixed 5-HT1A/5-HT2C activity with Ki values of 21.3/11.5 and 23.2/6.48 nM, resp. The compounds with better affinity and selectivity binding profiles toward 5-HT2C (I, II, III, and 8b(IV)) were selected for further in vivo assays to determine their functional activity. Finally, to rationalize the obtained results, mol. docking studies were performed. The results of the pharmacol. studies showed that compounds I, II, and IV exerted antidepressant-like effects and I and II revealed also significant anxiolytic properties. Among the developed derivatives, the most promising compound seems to be II, which displayed antipsychotic-, antidepressant- and anxiolytic-like properties. No side effects, like catalepsy, motor-impairment or ethanol-potentiating effects, were observed after the injection of the tested compounds

Archiv der Pharmazie (Weinheim, Germany) published new progress about 5-HT1A receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Computed Properties of 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Wang, Fang published the artcileOrganic-photoredox-catalyzed three-component sulfonylative pyridylation of styrenes, Recommanded Product: Picolinonitrile, the main research area is cyanopyridine arylalkene sodium sulfinate diphenylanthracene photochem multicomponent sulfonylative pyridinylation; sulfonyl arylethylpyridine preparation regioselective.

An efficient, metal-free protocol for the three-component sulfonylative pyridylation of alkenes via organic-photoredox catalysis was described. Metal-free process enabled the direct and selective installation of sulfonyl and heteroaryl motifs and tolerated a wide array of functional groups as well as complex mol. scaffolds, which complemented previous methods and was of great interest in pharmaceutical research.

RSC Advances published new progress about Aromatic nitriles Role: PRP (Properties), RCT (Reactant), RACT (Reactant or Reagent). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Recommanded Product: Picolinonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Li, Yinghua published the artcileTemperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system, Recommanded Product: Picolinonitrile, the main research area is nitrile LiHMDS diastereoselective condensation reaction; enaminonitrile preparation nitrile LiHMDS condensation reaction; aminopyrimidine preparation aryl nitrile LiHMDS condensation reaction; aryl amidinopyrimidine preparation crystal structure.

A series of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines were synthesized by condensation of organonitriles in one system. A wide variety of compounds were obtained in good to excellent yields by simply controlling the reaction temperature The base-induced transformation process was easy for production The scope and versatility of the method was successfully demonstrated with 72 examples. The flexible and diversified characteristics of nitriles were introduced based on electronic effect, steric effect, position of substituted groups and intermol. hydrogen bonding. An updated reaction mechanism was proposed based on the study of the stoichiometric reaction conditions at variable temperature and on the investigation of products with cis-trans configuration transformation.

RSC Advances published new progress about Amidines Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Recommanded Product: Picolinonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Grytsai, Oleksandr published the artcileArylbiamidines: synthesis and structural studies en route to anticancer applications, Product Details of C6H4N2, the main research area is thiazolyl bromophenyl biamidine synthesis anticancer.

Biamidines are a unique and poorly studied class of nitrogenous compounds prone to tautomerization and H-bonding. Four series of heteroaryl diarylbiamidines were synthesized and the antimelanoma activity and physicochem. properties of the resulting 37 new compounds were evaluated. The dimethylthiazolyl 3-bromophenyl biamidine derivative B6 (I) inhibits the growth of six different melanoma cell lines, having higher activity than the pos. control drug, the B-RAF inhibitor PLX4032. This study introduces diarylbiamidines as promising frameworks for drug discovery.

New Journal of Chemistry published new progress about Addition reaction (addition reaction of thiazolylguanidines onto aryl nitriles). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Product Details of C6H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Wang, Xia published the artcileAnticancer-Active N-Heteroaryl Amines Syntheses: Nucleophilic Amination of N-Heteroaryl Alkyl Ethers with Amines, HPLC of Formula: 100-70-9, the main research area is heteroaryl alkyl ether amine nucleophilic amination; amine heteroaryl preparation anticancer activity green chem.

A mild amination protocol of N-heteroaryl alkyl ethers with various amines is described. This transformation is achieved by utilizing simple and readily available base as promoter via C-O bond cleavage, offering a new amination strategy to access several anticancer-active compounds This work is highlighted by the excellent functional group compatibility, scalability, wide substrate scope, and easy derivatization of a variety of drugs.

Organic Letters published new progress about Alkyl aryl ethers Role: RCT (Reactant), RACT (Reactant or Reagent) (heteroaryl). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, HPLC of Formula: 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Tomishige, Keiichi published the artcileCO2 Conversion with Alcohols and Amines into Carbonates, Ureas, and Carbamates over CeO2 Catalyst in the Presence and Absence of 2-Cyanopyridine, Related Products of nitriles-buliding-blocks, the main research area is carbonate urea carbamate catalyst cyanopyridine cerium oxide; Carbamate; Carbon dioxide; Cerium oxide; Organic carbonate; Urea.

Recent progress on the CeO2 catalyzed synthesis of organic carbonates, urea, and carbamates from CO2+alcs., CO2+amines, and CO2+alcs.+amines, resp., is reviewed. The reactions of CO2 with alcs. and amines are reversible ones and the degree of the equilibrium limitation of the synthesis reactions is strongly dependent on the properties of alcs. and amines as the substrates. When the equilibrium limitation of the reaction is serious, the equilibrium conversion of the substrate and the yield of the target product is very low, therefore, the shift of the equilibrium reaction to the product side by the removal of H2O is essential in order to get the target product in high yield. One of the effective method of the H2O removal from the related reaction systems is the combination with the hydration of 2-cyanopyridine to 2-picolinamide, which is also catalyzed by CeO2.

Chemical Record published new progress about Amines Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), PROC (Process). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Related Products of nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Das, Suman published the artcileAn imidazolin-2-iminato ligand organozinc complex as a catalyst for hydroboration of organic nitriles, SDS of cas: 100-70-9, the main research area is bridging imidazoliniminato ethylzinc complex preparation catalyst hydroboration nitrile; crystal structure dinuclear bridging imidazoliniminato ethylzinc complex methylthiophenylmethanammonium chloride; mol structure dinuclear bridging imidazoliniminato ethylzinc complex methylthiophenylmethanammonium chloride; hydroboration kinetics nitrile imidazoliniminatoethylzinc catalyst.

The reaction of diethylzinc with imidazolin-2-imines (ImRNH, R = Dipp (2,6-diisopropylphenyl)), Mes (2,4,6-trimethylphenyl), and tBu (tert-butyl) afforded the corresponding dimeric Zn(II) imidazolin-2-iminato complexes [{(ImRN)ZnEt}2] (R = Dipp, 1a; R = Mes, 1b; R = tBu, 1c). The Zn complexes were characterized using spectroscopic techniques and the mol. structure of complex 1b was established by single-crystal x-ray diffraction anal. Complex 1c was used as a catalyst for the chemoselective hydroboration of organic nitriles with pinacolborane (HBpin) at ambient temperature to obtain diborylamines of a broad substrate scope in high yield. Zn complex 1c exhibits a versatile substrate scope and good functional group tolerance for catalytic hydroboration reactions. A most plausible mechanism is proposed from the kinetic study.

New Journal of Chemistry published new progress about Crystal structure. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, SDS of cas: 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Jankins, Tanner C. published the artcileLow-valent tungsten redox catalysis enables controlled isomerization and carbonylative functionalization of alkenes, Name: Picolinonitrile, the main research area is pyrrolidine dione preparation regioselective; alkene carbon monoxide isomerization hydrocarbonylation tungsten catalyst.

The simple W(0) precatalyst W(CO)6 catalyzed the isomerization of alkenes RNHC(O)R1 [R = pyridin-2-ylmethyl, benzyl, quinolin-8-yl, etc; R1 = but-3-en-1-yl, 3-methylidenecyclobutyl, (3Z)-4-(4-bromophenyl)but-3-en-1-yl, etc.] to inactivated internal positions and subsequent hydrocarbonylation with CO were reported. The six- to seven-coordinate geometry changes that are characteristic of the W(0)/W(II) redox cycle and the conformationally flexible directing group are key factors in allowing isomerization to take place over multiple positions and stop at a defined inactivated internal site that is primed for in situ functionalization.

Nature Chemistry published new progress about Carbonylation catalysts, reductive (regioselective). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Name: Picolinonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zhu, Shengqing published the artcilePhotoredox-catalyzed branch-selective pyridylation of alkenes for the expedient synthesis of Triprolidine, Category: nitriles-buliding-blocks, the main research area is aryl alkene pyridine carbonitrile iridium catalyst photochem regioselective pyridylation.

A catalytic, branch-selective pyridylation of alkenes via a sulfinate assisted photoredox catalysis was reported. This reaction proceeded through a sequential radical addition/coupling/elimination, by utilizing readily available sodium sulfinates as reusable radical precursors as well as traceless elimination groups. This versatile protocol allows for the installation of important vinylpyridines with complete branched selectivity under mild conditions. Furthermore, this catalytic manifold was successfully applied to the expedient synthesis of Triprolidine.

Nature Communications published new progress about Cross-coupling reaction catalysts (photochem., regioselective). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts