Tag: M.W=100-150

Moradi, Parisa published the artcileFabricated copper catalyst on biochar nanoparticles for the synthesis of tetrazoles as antimicrobial agents, Computed Properties of 91-15-6, the main research area is copper catalyst biochar nanoparticle tetrazole synthesis antimicrobial activity.

Biochar is a carbon-rich solid which its surface was covered by high d. of carbonyl, hydroxyl and carboxylic acid functional groups. In this work, biochar nanoparticles were prepared from pyrolysis of chicken manure and further a new copper catalyst was supported on its surface (Cu-TBA@biochar) as reusable and environmental biocatalyst. The structure of this catalyst has been characterized by SEM, EDS, WDX, XRD, TGA, N2 adsorption-desorption isotherms, FT-IR and AAS techniques. SEM images of this catalyst demonstrate that particle size is less than 100 nm in diameter The catalytic activity of this nanocatalyst was studied in the synthesis of tetrazole derivatives Tetrazole products were obtained in high TOF and TON values in the presence of Cu-ABA@biochar, which indicate the high efficiency of this catalyst. The biol. activity of obtained tetrazoles was screened against several Gram-pos. & Gram-neg. bacteria strains which these compounds were found to possess promising activity. This catalyst was reused for several runs without significant loss of its catalytic activity or copper leaching. Also, recovered catalyst was characterized by SEM, FT-IR, AAS and N2 adsorption-desorption isotherms. Heterogeneity and stability of this nanocatalyst was confirmed by hot filtration test and reusing of catalyst.

Polyhedron published new progress about Antimicrobial agents. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Computed Properties of 91-15-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Kukhta, Nadzeya A. published the artcileRevealing resonance effects and intramolecular dipole interactions in the positional isomers of benzonitrile-core thermally activated delayed fluorescence materials, Formula: C7H6N2, the main research area is dimethylacridin benzonitrile resonance dipole interaction fluorescence crystal structure.

We report on the properties of the three positional isomers of (2,7-di-tert-butyl-9,9-dimethylacridin-10(9H)-yl)benzonitrile, which are found to have comparable donor steric environments and donor-acceptor dihedral angles. An unexpected intramol. dipole interaction imparts a unique mol. geometry to the ortho-linked isomer, while comparison of the meta- and para-isomers uncovers how positional differences in acceptor strengths (a consequence of differences in aromatic π-system electron d.) lead to very different triplet harvesting and emission properties. These positional-isomer effects on TADF follow the well-known aromatic directing rules from organic synthesis, in keeping with their common origin arising from contributions of multiple electronic resonance structures. Understanding these positional effects and methods of dihedral control is critical to the future design of efficient TADF emitters.

Journal of Materials Chemistry C: Materials for Optical and Electronic Devices published new progress about Bond angle, dihedral. 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

Shekhovtsov, Nikita A. published the artcileA 1-Hydroxy-1H-imidazole ESIPT Emitter Demonstrating anti-Kasha Fluorescence and Direct Excitation of a Tautomeric Form, Safety of Picolinonitrile, the main research area is hydroxy imidazole preparation fluorescence crystal structure ESIPT; computational chemistry; heterocycles; hydrogen bonds; photochemistry; tautomerism.

The ability of 1-hydroxy-1H-imidazoles to exist in the form of two prototropic tautomers, the N-hydroxy and the N-oxide forms, can be utilized in the design of new types of ESIPT-fluorophores (ESIPT=excited state intramol. proton transfer). Here we report the first example of 1-hydroxy-1H-imidazole-based ESIPT-fluorophores, 1-hydroxy-5-methyl-2,4-di(pyridin-2-yl)-1H-imidazole (HL), featuring a short intramol. hydrogen bond O-H···N (O···N 2.56 Å) as a pre-requisite for ESIPT. The emission of HL originates from the anti-Kasha S2→S0 fluorescence in the N-oxide form as a result of a large S2-S1 energy gap slowing down the S2→S1 internal conversion. Due to an energy barrier between the N-hydroxy and N-oxide forms in the ground state, the HL mols. can be trapped and photoexcited in the N-oxide form leading to the Stokes shift of ca. 60 nm which is the smallest among known ESIPT-fluorophores.

ChemPlusChem published new progress about Conical intersection. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Safety of Picolinonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Lee, Jaewoon published the artcileOne-pot bifunctionalization of silica nanoparticles conjugated with bioorthogonal linkers: application in dual-modal imaging, Computed Properties of 100-70-9, the main research area is nanosilica bioorthogonal linker fluorescence tomog imaging.

Covalent surface modification of silica nanoparticles (SNPs) offers great potential for the development of multimodal nanomaterials for biomedical applications. Herein, we report the synthesis of covalently conjugated bifunctional SNPs and their application to in vivo multimodal imaging. Bis(methallyl)silane 15 with cyclopropene and maleimide, designed as a stable bifunctional linker, was efficiently synthesized by traceless Staudiger ligation, and subsequently introduced onto the surface of monodispersed SNPs via Sc(OTf)3-catalyzed siloxane formation. The bifunctional linker-grafted SNP 20 underwent both thiol-conjugated addition and tetrazine cycloaddition in one pot. Finally, positron emission tomog./computed tomog. and fluorescence imaging study of dual functional SNP [125I]28 labeled with NIR dye and 125I isotope showed a prolonged circulation in mice, which is conducive to the systemic delivery of therapeutics.

Biomaterials Science published new progress about Fluorescence imaging. 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

Fernando Gomollon-Bel published the artcileShaking up industrial chemistry, Formula: C8H4N2, the main research area is review mechanochem industrial chem.

Grinding stuff is probably one of the oldest ways to run a chem. reaction. For example, in the fourth century BCE, people extracted mercury from cinnabar by grinding the mineral with vinegar in copper bowls. Later, as the chem. industry developed in the 19th century, the German chem. company, BASF, used giant mills called muhlenbetriebe to grind materials into synthetic organic dyes. Factory workers would load a ball mill′s large cylindrical drum with starting material and metal balls. The balls would grind the materials as the drum spun. One of the dyes made in these mills was Heliogen blue, an intense sapphire dye made by crumbling copper chloride and phthalonitrile. “”It is a really old example of a mechanochem. reaction, run without a solvent in a ball mill kiln,”” Martin Viertelhaus, a principal scientist at BASF, said at the “”Mechanochem. Meets Industry”” online workshop in Feb. 2021. In recent decades, Mechanochem. offers a greener way to make mols., but chemists need to scale it up for industry. Researchers at MOF Technologies work with extruders to use mechanochem. to develop new materials.

Chemical & Engineering News published new progress about Grinding (machining). 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

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

Zhou, Xukai published the artcileOlefination via Cu-Mediated Dehydroacylation of Unstrained Ketones, Recommanded Product: Picolinonitrile, the main research area is olefin preparation; unstrained ketone dehydroacylation copper mediated.

The dehydroacylation of ketones to olefins was realized under mild conditions, which exhibited a unique reaction pathway involving aromatization-driven C-C cleavage to remove the acyl moiety, followed by Cu-mediated oxidative elimination to form an alkene between the α and β carbons. The newly adopted N’-methylpicolinohydrazonamide (MPHA) reagent was key to enable efficient cleavage of ketone C-C bonds at room temperature Diverse alkyl- and aryl-substituted olefins, dienes and special alkenes were generated with broad functional group tolerance. Strategic applications of this method were also demonstrated.

Journal of the American Chemical Society published new progress about Acylation (dehydro). 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

Arunachalam, Rajendran published the artcileCatalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol, Application of Picolinonitrile, the main research area is transition metal Schiff pyridylaldehyde malonohydrazide succinohydrazide glutarohydrazide complex preparation; carbonation catalyst transition metal Schiff pyridylaldehyde malonohydrazide succinohydrazide glutarohydrazide; crystal structure transition metal Schiff pyridylaldehyde malonohydrazide succinohydrazide glutarohydrazide.

The construction of sophisticated mol. architectures from chem. subunits requires careful selection of the spacers, precise synthetic strategies, and substantial efforts. The authors report a series of binuclear double-stranded helicates synthesized from different combinations of pyridyl hydrazone-based multidentate ligands (H2L1, H2L2, H2L3) by increasing the methylene spacer and transition metals (Co, Ni, and Zn). The ligands H2L1 (N’1,N’3-bis((E)-pyridin-2-ylmethylene)malonohydrazide), H2L2 (N’1,N’4-bis((E)-pyridin-2-ylmethylene)succinohydrazide), and H2L3 (N’1,N’5-bis((E)-pyridin-2-ylmethylene)glutarohydrazide) and their resp. complexes with Co, Ni, and Zn were obtained. Single-crystal X-ray diffraction studies of these binuclear metallohelicates confirm the double-stranded helical structure of the complexes derived from H2L2. The set of helicates Co-1, Co-2, and Co-3; Ni-1, Ni-2, and Ni-3; and Zn-1, Zn-2, and Zn-3 were investigated for its catalytic activity in the cyclic carbonate formation reaction. Intriguingly, among the synthesized catalyst, Co-1 was found to be better in terms of conversions with the calculated TOF (turnover frequency) of 128/h. The catalytic performance was significantly improved by adding 0.2 mmol of tetrabutylammonium bromide by achieving 76% conversion in 30 min, with the observed TOF of 15,934 h-1/mol. and 7967 h-1/Co center. The results obtained herein show that the double-stranded helicates are effective catalysts for converting both terminal and non-terminal epoxides into their corresponding cyclic carbonates. The striking feature of this catalytic protocol lies in demonstrating the catalytic activity for the conversion of diol to cyclic carbonate, and the detailed kinetic experiments tempted us to propose a tentative reaction mechanism for this conversion.

ACS Omega published new progress about Carbonation catalysts. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Application of Picolinonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Reich, Siegfried H. published the artcileSubstituted Benzamide Inhibitors of Human Rhinovirus 3C Protease: Structure-Based Design, Synthesis, and Biological Evaluation, Related Products of nitriles-buliding-blocks, the main research area is unsaturated cinnamate ester benzamide preparation rhinovirus protease inhibitor; library unsaturated cinnamate ester benzamide preparation rhinovirus protease inhibitor; structure benzamide rhinovirus protease inhibition; crystal structure rhinovirus 3C protease benzamide unsaturated cinnamate ester.

A series of nonpeptide benzamide-containing inhibitors of human rhinovirus (HRV) 3C protease (3CP) was identified using structure-based design. The design, synthesis, and biol. evaluation of these inhibitors are reported. A Michael acceptor was combined with a benzamide core mimicking the P1 recognition element of the natural 3CP substrate. α,β-Unsaturated cinnamate esters such as I irreversibly inhibited the 3CP and displayed antiviral activity (EC50 0.60 μM, HRV-16 infected H1-HeLa cells). On the basis of cocrystal structure information, a library of substituted benzamide derivatives was prepared using parallel synthesis on solid support. A 1.9 Å cocrystal structure of a benzamide inhibitor II in a complex with 3CP revealed a binding mode similar to that initially modeled wherein covalent attachment of the nucleophilic cysteine residue is observed Benzamide-containing unsaturated ketone inhibitors displayed potent reversible inhibition but were inactive in the cellular antiviral assay and were found to react with nucleophilic thiols such as DTT.

Journal of Medicinal Chemistry published new progress about Combinatorial library. 269411-71-4 belongs to class nitriles-buliding-blocks, name is 3-Amino-5-methoxybenzonitrile, and the molecular formula is C8H8N2O, Related Products of nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Ohno, Hajime published the artcileDirect dimethyl carbonate synthesis from CO2 and methanol catalyzed by CeO2 and assisted by 2-cyanopyridine: a cradle-to-gate greenhouse gas emission study, Application In Synthesis of 100-70-9, the main research area is dimethyl carbonate carbon dioxide methanol CeO2 cyanopyridine greenhouse gas.

The direct synthesis of di-Me carbonate (DMC) from CO2 and methanol is an attractive alternative route utilizing CO2 instead of toxic phosgene as a carbonate source. The route is thermodynamically difficult because of the equilibrium limitation of the reaction 2CH3OH + CO2 → (CH3O)2O + H2O. In addition, the azeotrope formed by DMC and methanol makes the separation of DMC from unreacted methanol complex and energy intensive. The use of CeO2 and 2-cyanopyridine as a catalyst and dehydration agent solved both the equilibrium constraint and the separation challenge. In this study, the direct DMC synthesis from CO2 and methanol over CeO2 with 2-cyanopyridine was evaluated in terms of greenhouse gas (GHG) emission with the aid of process simulation. It was validated that the cradle-to-gate greenhouse gas emission attributed to the product of this system (0.39 kg-CO2-eq per kg-DMC) becomes much lower than that in conventional commercialized processes. The heat exchange in the process reduced the emission further to 0.34 kg-CO2-eq per kg-DMC. Among the items associated with emissions, methanol consumption shared the largest part (0.63 kg-CO2-eq per kg-DMC), while the converted CO2 was regarded as an important offset (-0.49 kg-CO2-eq per kg-DMC). It is due to the use of the typical methanol production from natural gas (0.88 kg-CO2-eq per kg-methanol). It suggests that if the methanol production with its associated GHG emission accounting for less than 0.41 or 0.34 kg-CO2-eq per kg-methanol is applicable for with or without heat-exchanging cases, the presented process achieves neg. emission. Furthermore, based on the results, the requirements for the practical process implementation are discussed by comparing the lifecycle GHG emission results with other DMC synthesis routes.

Green Chemistry published new progress about Dehydration catalysts. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Application In Synthesis of 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts