Tag: M.W=100-150

Lee, Chuping published the artcileToward understanding the ionization mechanism of matrix-assisted ionization using mass spectrometry experiment and theory, Application In Synthesis of 91-15-6, the main research area is ionization mechanism MALDI mass spectrometry experiment theory.

Rationale : Matrix-assisted ionization (MAI) mass spectrometry does not require voltages, a laser beam, or added heat to initiate ionization, but it is strongly dependent on the choice of matrix and the vacuum conditions. High charge state distributions of nonvolatile analyte ions produced by MAI suggest that the ionization mechanism may be similar to that of electrospray ionization (ESI), but different from matrix-assisted laser desorption/ionization (MALDI). While significant information is available for MAI using mass spectrometers operating at atm. and intermediate pressure, little is known about the mechanism at high vacuum. Methods : Eleven MAI matrixes were studied on a high-vacuum time-of-flight (TOF) mass spectrometer using a 266. nm pulsed laser beam under otherwise typical MALDI conditions. Detailed comparisons with the commonly used MALDI matrixes and theor. prediction were made for 3-nitrobenzonitrile (3-NBN), which is the only MAI matrix that works well in high vacuum when irradiated with a laser. Results : Screening of MAI matrixes with good absorption at 266 nm but with various degrees of volatility and laser energies suggests that volatility and absorption at the laser wavelength may be necessary, but not sufficient, criteria to explain the formation of multiply charged analyte ions. 3-NBN produces intact, highly charged ions of nonvolatile analytes in high-vacuum TOF using a laser, demonstrating that ESI-like ions can be produced in high vacuum. Theor. calculations and mass spectra suggest that thermally induced proton transfer, which is the major ionization mechanism in MALDI, is not important with the 3-NBN matrix at 266 nm laser wavelength. 3-NBN:analyte crystal morphol. is, however, important in ion generation in high vacuum. Conclusions : The 3-NBN MAI matrix produces intact, highly charged ions of nonvolatile compounds in high-vacuum TOF mass spectrometers with the aid of ablation and/or heating by laser irradiation, and shows a different ionization mechanism from that of typical MALDI matrixes.

Rapid Communications in Mass Spectrometry published new progress about Ionization. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Application In Synthesis of 91-15-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Molaei, Somayeh published the artcileOrdered mesoporous SBA-15 functionalized with yttrium(III) and cerium(III) complexes: Towards active heterogeneous catalysts for oxidation of sulfides and preparation of 5-substituted 1H-tetrazoles, Safety of Phthalonitrile, the main research area is sulfoxide tetrazole preparation SBA 15 functionalized yttrium cerium complex; sulfide nitrile oxidation.

Mesoporous SBA-15 was synthesized and modified with 3-chloropropyltrimethoxysilane and then used in immobilization of creatinine groups, which were employed to introduce Y3+ and Ce3+ to give rise to two novel yttrium and cerium catalysts: SBA-15@Creatinine@M (M = Y and Ce). The structures of the SBA-15@Creatinine@M catalysts were determined using various techniques. These catalysts offered outstanding catalytic performances in the oxidation of sulfides to sulfoxides and in the preparation of 5-substituted 1H-tetrazoles. An important characteristic of the SBA-15@Creatinine@M catalysts is that they are very stable without a considerable decrease in their catalytic performance lasting seven cycles.

Applied Organometallic Chemistry published new progress about IR spectra. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Safety of Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Nakagawa, Masayuki published the artcilePhotonucleophilic reactions of nitrofen, Safety of 4-Hydroxyisophthalonitrile, the main research area is nitrofen photonucleophilic reaction; photolysis nitrofen.

Irradiation of nitrofen (I) [1836-75-5] in the presence of KCN formed 2,4-dichlorobenzonitrile [6574-98-7] and related compounds, whereas the photoreaction with piperidine formed p-nitrophenol [100-02-7] and tarry products from the addnl. reactions of the intermediate 2,4-dichlorophenol [120-83-2] with piperidine. 2,4-Dichlorophenol also reacted with KCN to form 2,4-dicyanophenol [34133-58-9]. These and other photonucleophilic reactions may help to explain the environmental dissipation of many pesticides.

Journal of Agricultural and Food Chemistry published new progress about Photolysis. 34133-58-9 belongs to class nitriles-buliding-blocks, name is 4-Hydroxyisophthalonitrile, and the molecular formula is C8H4N2O, Safety of 4-Hydroxyisophthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Kamiya, Yusuke published the artcilePrediction of permeability across intestinal cell monolayers for 219 disparate chemicals using in vitro experimental coefficients in a pH gradient system and in silico analyses by trivariate linear regressions and machine learning, Computed Properties of 91-15-6, the main research area is intestinal cell monolayer permeability silico TLR machine learning; Caco-2 cells; Machine learning; Multivariate analysis; Octanol–water distribution coefficient; Permeability.

For medicines, the apparent membrane permeability coefficients (Papp) across human colorectal carcinoma cell line (Caco-2) monolayers under a pH gradient generally correlate with the fraction absorbed after oral intake. Furthermore, the in vitro Papp values of 29 industrial chems. were found to have an inverse association with their reported no-observed effect levels for hepatotoxicity in rats. In the current study, we expanded our influx permeability predictions for the 90 previously investigated chems. to both influx and efflux permeability predictions for 207 diverse primary compounds, along with those for 23 secondary compounds Trivariate linear regression anal. found that the observed influx and efflux logPapp values determined by in vitro experiments significantly correlated with mol. weights and the octanol-water distribution coefficients at apical and basal pH levels (pH 6.0 and 7.4, resp.) (apical to basal, r = 0.76, n = 198; and basal to apical, r = 0.77, n = 202); the distribution coefficients were estimated in silico. Further, prediction accuracy was enhanced by applying a light gradient boosting machine learning system (LightGBM) to estimate influx and efflux logPapp values that incorporated 17 and 19 in silico chem. descriptors (r = 0.83-0.84, p < 0.001). The determination in vitro and/or prediction in silico of permeability coefficients across intestinal cell monolayers of a diverse range of industrial chems./food components/medicines could contribute to the safety evaluations of oral intakes of general chems. in humans. Such new alternative methods could also reduce the need for animal testing during toxicity assessment. Biochemical Pharmacology (Amsterdam, Netherlands) published new progress about Algorithm. 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

Wimmer, Eric published the artcileAn autonomous self-optimizing flow machine for the synthesis of pyridine-oxazoline (PyOX) ligands, Recommanded Product: Picolinonitrile, the main research area is pyridine oxazoline ligand self optimizing flow machine.

Pyridine-oxazoline-type ligands (PyOX) are an important class of chiral ligands for metal-catalyzed asym. transformations. Herein we describe an efficient and reliable flow route which is amenable for the synthesis of PyOX ligands at a scale of hundreds of milligrams per h. Optimal flow conditions were rapidly identified through the assistance of an inhouse built autonomous self-optimizing system integrating a custom-made optimization algorithm derived from the Nelder-Mead and golden section search methods. The preparation of a small library of representative PyOX ligands highlights the practical application of this flow route which should be of primary interest for synthetic chemists developing metal-catalyzed asym. transformations.

Reaction Chemistry & Engineering published new progress about Algorithm. 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

Fu, Zhengqiang published the artcileManganese Catalyzed Direct Amidation of Esters with Amines, Name: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is amide preparation; ester amine amidation manganese catalyst.

The transition metal catalyzed amide bond forming reaction of esters with amines has been developed as an advanced approach for overcoming the shortcomings of traditional methods. The broad scope of substrates in transition metal catalyzed amidations remains a challenge. Here, a manganese(I)-catalyzed method for the direct synthesis of amides from a various number of esters and amines is reported with unprecedented substrate scope using a low catalyst loading. A wide range of aromatic, aliphatic, and heterocyclic esters, even in fatty acid esters, reacted with a diverse range of primary aryl amines, primary alkyl amines, and secondary alkyl amines to form amides. It is noteworthy that this approach provides the first example of the transition metal catalyzed amide bond forming reaction from fatty acid esters and amines. The acid-base mechanism for the manganese(I)-catalyzed direct amidation of esters with amines was elucidated by DFT calculations

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

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Yang, Qi-Liang published the artcilePalladium-Catalyzed Electrochemical C-H Bromination Using NH4Br as the Brominating Reagent, Related Products of nitriles-buliding-blocks, the main research area is bromobenzamide preparation; benzamide preparation electrochem bromination palladium catalyst ammonium bromide.

The palladium-catalyzed electrochem. C-H bromination of benzamide derivatives under divided cells is developed, in which NH4Br serves as a brominating reagent and electrolyte. The protocol avoids the use of chem. oxidants and provides an alternative method for the synthesis of aryl bromides.

Organic Letters published new progress about Amidation. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Related Products of nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Tak, Raj K. published the artcileLigand-enabled, copper-catalyzed electrophilic amination for the asymmetric synthesis of β-amino acids, Application In Synthesis of 100-70-9, the main research area is amino acid beta cyclic linear enantioselective synthesis solvent effect; electrophilic amination copper catalyst isoxazolidinone nitrene; asym desymmetrization kinetic resolution nitrene transfer.

Catalytic asym. nitrene transfer has emerged as a reliable method for the synthesis of nitrogen-containing chiral compounds Herein, we report the copper-catalyzed intramol. asym. electrophilic amination of aromatic rings. The reactive intermediate is a copper-alkyl nitrene generated from isoxazolidin-5-ones. Copper catalysis promotes three classes of asym. transformations, namely, asym. desymmetrization, parallel kinetic resolution, and kinetic resolution, expanding the repertoire of alkyl nitrene transfer and providing various cyclic and linear β-amino acids in their enantioenriched forms.

Organic Letters published new progress about Amination. 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

Zhou, Fabin published the artcileA terphenyl phosphine as a highly efficient ligand for palladium-catalysed amination of aryl halides with 1° anilines, Application of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is aryl halide aniline amination palladium complex catalyst.

A terphenyl phosphine ligand (2,6-bis(2,4,6-triisopropylphenyl)phenyl-dicyclohexylphosphine, TXPhos) and its supported palladium complex [(TXPhos)(allyl)PdCl] have been developed and the catalyst system is highly efficient in amination of aryl halides ArX (Ar = Ph, 2-methoxyphenyl, 4-cyanophenyl, etc.; X = Cl, Br, I) with 1° anilines RNH2 (R = Ph, 2-nitrophenyl, 2,5-dimethylphenyl, etc.), especially effective for densely functionalized substrates including both partners possessing ortho-ester, acetyl, nitrile and nitro groups. With the TXPhos-supported catalyst system, many partner combinations have been unprecedentedly realized and the base scope has been even extended to KOAc, which is even the best choice in the amination of 2-nitrochlorobenzene.

Journal of Catalysis published new progress about Amination. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Application of 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Vijeta, Arjun published the artcileAn Integrated Carbon Nitride-Nickel Photocatalyst for the Amination of Aryl Halides Using Sodium Azide, Computed Properties of 1885-29-6, the main research area is primary aniline preparation; haloarene sodium azide amination integrated carbon nitride nickel photocatalyst; Carbon Nitride; Green Chemistry; Heterogeneous Catalysis; Organic Synthesis; Photocatalysis.

A photocatalytic protocol for the selective synthesis of primary anilines RNH2 [R = Ph, 4-BrC6H4, 3-pyridyl, etc.] via cross-coupling of a wide range of aryl/heteroaryl halides with sodium azide using a photocatalyst powder consisting of nickel(II) deposited on mesoporous carbon nitride (Ni-mpg-CNx) was reported. This heterogeneous photocatalyst contained a high surface area with a visible light-absorbing and adaptive “”built-in”” solid-state ligand for the integrated catalytic Ni site. The method displayed a high functional group tolerance, required mild reaction conditions, and benefited from easy recovery and reuse of the photocatalyst powder. Thereby, it overcame the need of complex ligand scaffolds required in homogeneous catalysis, precious metals and elevated temperatures/pressures in existing protocols of primary anilines synthesis. The reported heterogeneous Ni-mpg-CNx held potential for applications in the academic and industrial synthesis of anilines and exploration of other photocatalytic transformations.

Angewandte Chemie, International Edition published new progress about Amination. 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