Month: November 2022

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

Medjahed, Aboubakr published the artcileFabrication Process, Tensile, and Gamma Rays Shielding Properties of Newly Developed Fiber Metal Laminates Based on an Al-Li Alloy and Carbon Fibers-Tungsten Carbide Nanoparticles Reinforced Phthalonitrile Resin Composite, Recommanded Product: Phthalonitrile, the main research area is tungsten carbide nanoparticle phthalonitrile resin composite AlLi alloy.

In the present study, new fiber-metal laminates (FMLs) are manufactured from the lay-up process of the carbon fibers-tungsten carbide nanoparticles/phthalonitrile (CFs-WC/PN) composite and the Al-Li alloy. The properties of the developed hybrids are analyzed and compared with those of the monolithic alloy. Generally speaking, the results indicate that the amount of the fiber considerably affects the tensile properties. The mech. properties of the FMLs show enhancements over both the Al-Li alloy and the CFs/PN composite individually. When the number of the composite layers varies from 4 to 12, the ultimate tensile strength of the prepared FMLs increase from 335.3 to 690.5 MPa. The FMLs present a ductile behavior (up to a failure strain of 20%), which can be attributed to the ductile fracture morphol. of the Al-Li alloy. These improvements are the result of the synergistic combination of the high strength of composites and the superior ductility of metals. In the meantime, the gamma rays (γ-rays) shielding test reveals that increasing the weight amount of the tungsten carbide (WC) nanoparticles in the composite noticeably improves the screening ratio, reaching the exceptional value of 46% for the hybrid containing 20 wt% of WC.

Advanced Engineering Materials published new progress about Carbon fibers Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Recommanded Product: Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Khong, Minh-Thuong published the artcileChemical Modifications Induced by Phthalic Anhydride, a Respiratory Sensitizer, in Reconstructed Human Epidermis: A Combined HRMAS NMR and LC-MS/MS Proteomic Approach, Formula: C8H4N2, the main research area is phthalic anhydride respiratory sensitizer skin epidermis safety.

Chem. skin and respiratory allergies are becoming a major health problem. To date our knowledge on the process of protein haptenation is still limited and mainly derived from studies performed in solution using model nucleophiles. In order to better understand chem. interactions between chem. allergens and the skin, we have investigated the reactivity of phthalic anhydride 1 (PA), a chem. respiratory sensitizer, toward reconstructed human epidermis (RHE). This study was performed using a new approach combining HRMAS NMR to investigate the in situ chem. reactivity and LC-MS/MS to identify modified epidermal proteins. In RHE, the reaction of PA appeared to be quite fast and the major product formed was phthalic acid. Two amide type adducts on lysine residues were observed and after 8h of incubation, we also observed the formation of an imide type cyclized adducts with lysine. In parallel, RHE samples topically exposed to phthalic anhydride (13C)-1 were analyzed using the shotgun proteomics method. Thus, 948 different proteins were extracted and identified, 135 of which being modified by PA, i.e., 14.2% of the extracted proteome. A total of 211 amino acids were modified by PA and validated by fragmentation spectra. We thus identified 154 modified lysines, 22 modified histidines, 30 modified tyrosines, and 5 modified arginines. The rate of modified residues, as a proportion of the total number of modifiable nucleophilic residues in RHE, was rather low (1%). At the protein level, modified proteins were mainly type I and type II keratins and other proteins which are abundant in the epidermis such as protein S100A, Caspase 14, annexin A2, serpin B3, fatty-acid binding protein 5, histone H2, H3, H4, etc. However, the most modified protein, mainly on histidine residues, was filaggrin, a protein that is of low abundance (0.0266 mol %) and rich in histidine.

Chemical Research in Toxicology published new progress about Allergens Role: ADV (Adverse Effect, Including Toxicity), BIOL (Biological Study). 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Formula: C8H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Timoshkin, I. A. published the artcileHeat-Resistant Carbon Fiber Reinforced Plastics Based on a Copolymer of Bisphthalonitriles and Bisbenzonitrile, Product Details of C8H4N2, the main research area is bisphthalonitrile bisbenzonitrile copolymer carbon fiber reinforced plastic.

New phthalonitrile resins that provide processing properties at the level of epoxy resins and composites obtained from them are discussed. The processing parameters of the resins are improved due to the discovery of reactive diluents based on bisbenzonitriles. By introducing these comonomers into the resin composition the melt viscosity is reduced to less than 100 MPa s at a temperature of 120°C, which allows one to obtain carbon fibers by modern injection techniques. The curing programs of the composite are selected in order to attain the maximum compressive strength (852 MPa). Carbon fiber reinforced plastics postcured at 375°C retain up to 90% of their mech. properties at 400°C (t12 = 60-80 MPa). It is first shown that prepregs can be produced from phthalonitrile resins using the melt technol. and composites from them can be obtained by hot pressing. Carbon fibers possess high limiting oxygen index values (LOI > 80%). Thus, phthalonitrile resins and prepregs are developed for non-autoclave processing of carbon and glass composites suitable for operation at elevated temperatures

Polymer Science, Series C: Selected Topics published new progress about Carbon fiber-reinforced plastics Role: MOA (Modifier or Additive Use), USES (Uses). 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Product Details of C8H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Liang, Xin published the artcileVisible-light-driven electron donor-acceptor complex induced sulfonylation of diazonium salts with sulfinates, Computed Properties of 1885-29-6, the main research area is aryl sulfone preparation green chem visible light; diazonium tetrafluoroborate sulfonylation sulfinate electron donor acceptor complex.

This work reports an efficient sulfonylation reaction enabled by a visible-light-induced radical coupling reaction between phenyl/heterocyclic diazonium salts and sulfinates. Mechanistic experiments disclosed the formation of a versatile electron donor-acceptor (EDA) complex. This transformation is characterized by an easy operational procedure under mild conditions which avoids transition metals, ligands, catalysts, and oxidants.

Green Chemistry published new progress about Aromatic compounds, sulfones Role: SPN (Synthetic Preparation), PREP (Preparation). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Computed Properties of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Mou, Zhongyu published the artcileMachine learning-based prediction of enzyme substrate scope: Application to bacterial nitrilases, SDS of cas: 1885-29-6, the main research area is nitrilase PMI26 1B15 3 hydroxyglutaronitrile mandelonitrile cinnamonitrile machine learning; enzyme specificity; functional annotation; machine learning; modular approach; substrate scope.

Predicting the range of substrates accepted by an enzyme from its amino acid sequence is challenging. Although sequence- and structure-based annotation approaches are often accurate for predicting broad categories of substrate specificity, they generally cannot predict which specific mols. will be accepted as substrates for a given enzyme, particularly within a class of closely related mols. Combining targeted exptl. activity data with structural modeling, ligand docking, and physicochem. properties of proteins and ligands with various machine learning models provides complementary information that can lead to accurate predictions of substrate scope for related enzymes. Here we describe such an approach that can predict the substrate scope of bacterial nitrilases, which catalyze the hydrolysis of nitrile compounds to the corresponding carboxylic acids and ammonia. Each of the four machine learning models (logistic regression, random forest, gradient-boosted decision trees, and support vector machines) performed similarly (average ROC = 0.9, average accuracy = ∼82%) for predicting substrate scope for this dataset, although random forest offers some advantages. This approach is intended to be highly modular with respect to physicochem. property calculations and software used for structural modeling and docking.

Proteins: Structure, Function, and Bioinformatics published new progress about Carboxylic acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

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

Chen, Ying-Chu published the artcileC-N Coupling of DNA-Conjugated (Hetero)aryl Bromides and Chlorides for DNA-Encoded Chemical Library Synthesis, Quality Control of 1885-29-6, the main research area is DNA encoded heteroaryl amide library synthesis.

DNA-encoded chem. library (DECL) screens are a rapid and economical tool to identify chem. starting points for drug discovery. As a robust transformation for drug discovery, palladium-catalyzed C-N coupling is a valuable synthetic method for the construction of DECL chem. matter; however, currently disclosed methods have only been demonstrated on DNA-attached (hetero)aromatic iodide and bromide electrophiles. We developed conditions utilizing an N-heterocyclic carbene-palladium catalyst that extends this reaction to the coupling of DNA-conjugated (hetero)aromatic chlorides with (hetero)aromatic and select aliphatic amine nucleophiles. In addition, we evaluated steric and electronic effects within this catalyst series, carried out a large substrate scope study on two representative (hetero)aryl bromides, and applied this newly developed method within the construction of a 63 million-membered DECL.

Bioconjugate Chemistry published new progress about Anilines Role: CMB (Combinatorial Study), RCT (Reactant), RACT (Reactant or Reagent). 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

Du, Hong-Quan published the artcileBicyclic Bridgehead Phosphoramidite-Based Hybrid Diphosphorus Ligands: Design, Synthesis, and Application in Catalytic Asymmetric Hydrogenation, COA of Formula: C7H6N2, the main research area is bicyclic bridgehead phosphoramidite hybrid diphosphorus ligand preparation; arylethyl acetanilide preparation enantioselective; vinylanilide asym hydrogenation rhodium catalyst.

A strategy for chiral ligand design has been developed that allows for incorporation of an achiral bicyclic bridgehead phosphoramidite to generate a class of hybrid diphosphorus ligands for high activity and asym. control. Using this concept, a series of chiral phosphine-phosphoramidite ligands bearing the sole chirality at the ligand backbone have been prepared and successfully employed in the Rh-catalyzed asym. hydrogenation of 2-vinylanilides for the synthesis of optically active anilines bearing an ortho-tertiary benzylic stereocenter.

Organic Letters published new progress about Acetanilides Role: SPN (Synthetic Preparation), PREP (Preparation) (2-(1-arylethyl)). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, COA of Formula: C7H6N2.

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