Category: 123-39-7

Jin, Hao published the artcileTransition-Metal-Free, General Construction of Thioamides from Chlorohydrocarbon, Amide and Elemental Sulfur, Related Products of amides-buliding-blocks, the main research area is thioamide preparation; chlorohydrocarbon amide sulfur coupling three component reaction.

A general method for one-pot synthesis of thioamides is developed through a three-component reaction involving chlorohydrocarbon, amide and elemental sulfur. Such a strategy does not only avoid residual transition metal in the product but also prevent the generation of C-N coupling byproduct. The latter is prone to be generated when alkane halide and amine are present. With the protocol proposed in this work, both alkyl and aryl thioamides can be obtained in moderate to excellent yields with a high tolerance of various functional groups. External oxidants are not required in the reaction. In addition, the reaction mechanisms are addressed using a combination of controlling experiments and quantum chem. calculations

European Journal of Organic Chemistry published new progress about Amides Role: RCT (Reactant), RACT (Reactant or Reagent). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Related Products of amides-buliding-blocks.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Xiong, Yang published the artcileVisible Light-Mediated Dearomative Hydrogen Atom Abstraction/ Cyclization Cascade of Indoles, Product Details of C2H5NO, the main research area is oxospiro dioxospiro dihydrospiro indoline preparation photochem; indole amine dearomative hydrogen transfer spirocyclization tandem reaction; C−H Activation; Heterocycles; Hydrogen Transfer; Photochemistry; Sensitizers.

The photochem. synthesis of yet unknown 2-oxospiro[azetidine-3,3′-indolines] (17 examples, 80-95% yield), 2,4-dioxospiro[azetidine-3,3′-indolines] (eight examples, 87-97% yield), and 1-oxo-1,3-dihydrospiro[indene-2,3′-indolines] (17 examples, 85-97% yield) is described. Starting from readily accessible 3-substituted indoles, a dearomatization of the indole core was accomplished upon irradiation at λ=420 nm in the presence of thioxanthen-9-one (10 mol%) as the sensitizer. Based on mechanistic evidence (triplet energy determination, deuteration experiments, byproduct anal.) it is proposed that the reaction proceeds by energy transfer via a 1,4- or 1,5-diradical intermediate. The latter intermediates are formed by excited state hydrogen atom transfer from suitable alkyl groups within the C3 substituent to the indole C2 carbon atom. Subsequent ring closure proceeds with pronounced diastereoselectivity to generate a 4- or 5-membered spirocyclic dearomatized product with several options for further functionalization.

Angewandte Chemie, International Edition published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Product Details of C2H5NO.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Falcinelli, Stefano published the artcileThe Fragmentation Dynamics of Simple Organic Molecules of Astrochemical Interest Interacting with VUV Photons, Product Details of C2H5NO, the main research area is propylene oxide methylformamide vacuum extreme UV double photoionization fragmentation.

An exptl. investigation on the fragmentation dynamics following the double photoionization of simple organic mols. of astrochem. interest, propylene oxide and N-methylformamide mols., induced by VUV photons has been reported. Experiments used linearly polarized light in the 18-37 eV (propylene oxide) and 26-45 eV (N-methylformamide) photon energy range at the ELETTRA Synchrotron Facility of Trieste (Italy), coupling ion imaging and electron-ion-ion coincidence techniques with time-of-flight mass spectrometry. In the case of propylene oxide, six different two-body fragmentation processes have been recorded with the formation of CH2+/C2H4O+, CH3+/C2H3O+, O+/C3H6+, OH+/C3H5+, C2H3+/CH3O+, C2H4+/CH2O+ ion pairs. On the other hand, the double photoionization of N-methylformamide occurs producing two main fragmentation reactions, forming CH3+ + CH2NO+ and H+ + C2H4NO+. The relative cross sections and the threshold energies for all fragmentation channels are recorded as a function of the photon energy. Furthermore, in the case of the double photoionization of propylene oxide, the measure of the kinetic energy released distribution for the CH3+/C2H3O+ final ions with their angular distributions allowed the identification of a bimodal behavior indicating the possible formation of two different stable isomers of C2H3O+: acetyl and oxiranyl cations. The obtained results are important to clarify the phys. chem. of the elementary processes induced by the interaction of ionizing radiations with simple organic mols. of astrochem. interest: propylene oxide and N-methylformamide.

ACS Earth and Space Chemistry published new progress about Angular distribution function (kinetic energy release). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Product Details of C2H5NO.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Noori, Abdolvahed published the artcileQuorum quenching bacteria isolated from industrial wastewater sludge to control membrane biofouling, Recommanded Product: N-Methylformamide, the main research area is quorum quenching bacteria industrial wastewater sludge membrane biofouling; Biofouling; Industrial wastewater; Quorum quenching; Quorum sensing; Tetramethylammonium hydroxide.

N-acylhomoserine lactone (AHL)-based bacterial communication through quorum sensing (QS) is one of the main causes of biofouling. Although quorum quenching (QQ) has proven to be an effective strategy against biofouling in membrane bioreactors (MBRs) for municipal wastewater treatment, its applicability for industrial wastewater treatment has rarely been studied. This is the first study to isolate QQ strains from the activated sludge used to treat industrial wastewater containing toxic tetramethylammonium hydroxide (TMAH) and 1-methyl-2-pyrrolidinone. The two QQ strains from genus Bacillus (SDC-U1 and SDC-A8) survived and effectively degraded QS signals in the presence of TMAH. They also showed resistance to toxic byproducts of TMAH degradation such as ammonium and formaldehyde. They effectively reduced the biofilm formation of Pseudomonas aeruginosa PAO1 and mixed community of activated sludge. The strains isolated in this study thus have the potential to be employed to reduce membrane biofouling in MBRs during the treatment of TMAH-containing wastewater.

Bioresource Technology published new progress about Activated-sludge process wastewater treatment. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Recommanded Product: N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Gao, Xiaoyi published the artcileA novel solid-liquid ‘phase controllable’ biphasic amine absorbent for CO2 capture, COA of Formula: C2H5NO, the main research area is solid liquid phase controllable biphasic amine absorbent; carbon dioxide capture.

The main issues in the application of biphasic amine absorbent include the inconvenient separation of the liquid-liquid biphase and the clogging that is associated with the solid-liquid mixture A novel solid-liquid ‘phase controllable’ biphasic amine absorbent was therefore developed, in which the phase separation occurred only when the absorbent was near saturation The absorbent, composed of triethylene tetramine (TETA), 2-amino-2-methyl-1-propanol (AMP), and N-methylformamide (NMF), turned into solid-liquid biphase under CO2 loading of 0.85 mol mol-1, which is close to saturation (0.92 mol mol-1). The solid phase comprised white powder that accounted for only 42% of the total volume while absorbing 91% of the total load. Turbidity and particle size tests showed that the phase separation was self-aggregating. The mechanisms of absorption and regulation were obtained using 13C NMR and mol. simulation. During the absorption, CO2 first combined with TETA to generate TETAH+CO-2/TETACO-2 through the zwitterion mechanism, and then combined with AMP to generate AMPCO-2 because of the lower reaction activity between CO2 and AMP. The TETA-carbamate was found to greatly weakened the strength of the hydrogen bonds and the van der Waals forces between AMPH+ and AMPCO-2, increasing the solubility of the intermediate products, and therefore achieved the purpose of controlling the phases separation inherent in the reaction.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about Absorbents (solid-liquid biphasic, amine). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, COA of Formula: C2H5NO.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Flores-Holguin, Norma published the artcileConceptual DFT-Based Computational Peptidology, Pharmacokinetics Study and ADMET Report of the Veraguamides A-G Family of Marine Natural Drugs, Application of N-Methylformamide, the main research area is veraguamide natural drug density functional theory pharmacokinetics computational peptidol; ADMET; KID (Koopmans In DFT); Veraguamides A–G; computational peptidology; computational pharmacokinetics; conceptual DFT.

As a continuation of our research on the chem. reactivity, pharmacokinetics and ADMET properties of cyclopeptides of marine origin with potential therapeutic abilities, in this work our already presented integrated mol. modeling protocol has been used for the study of the chem. reactivity and bioactivity properties of the Veraguamides A-G family of marine natural drugs. This protocol results from the estimation of the conceptual d. functional theory (CDFT) chem. reactivity descriptors together with several chemoinformatics tools commonly considered within the process of development of new therapeutic drugs. CP-CDFT is a branch of computational chem. and mol. modeling dedicated to the study of peptides, and it is a protocol that allows the estimation with great accuracy of the CDFT-based reactivity descriptors and the associated phys. and chem. properties, which can aid in determining the ability of the studied peptides to behave as potential useful drugs. Moreover, the superiority of the MN12SX d. functional over other long-range corrected d. functionals for the prediction of chem. and phys. properties in the presence of water as the solvent is clearly demonstrated. The research was supplemented with an investigation of the bioactivity of the mol. systems and their ADMET (absorption, distribution, metabolism, excretion, and toxicity) parameters, as is customary in medicinal chem. Some instances of the CDFT-based chem. reactivity descriptors’ capacity to predict the pKas of peptides as well as their potential as AGE inhibitors are also shown.

Marine Drugs published new progress about Advanced glycation end product inhibitors. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Application of N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Antonsen, Simen Gjelseth published the artcileAtmospheric Chemistry of Methyl Isocyanide-An Experimental and Theoretical Study, HPLC of Formula: 123-39-7, the main research area is methyl isocyanide atm chem exptl theor assessment; reaction kinetics methyl isocyanide atm reaction hydroxyl radical.

The reaction of Me isocyanide (CH3NC) with OH- was examined in smog chamber experimentsusing proton transfer reaction/time of flight mass spectrometry and long-path Fourier transform IR detection. The rate coefficient was determined to be kCH3NC+OH = (7.9 ± 0.6) x 10-11 cm3/mol.-s at 298 ± 3° K and 1013 ± 10 hPa; CH3NC was the sole observed reaction product. Exptl. results were supported by CCSD(T*)-F12a/aug-cc-pVTZ//M06-2X/aug-cc-pVTZ quantum chem. calculations which showed the reaction proceeded primarily via electrophilic addition to the isocyanide carbon atom. Based on quantum chem. data, kinetics of the OH- reaction, simulated using a master equation model, showed the rate coefficient was nearly independent of pressure at tropospheric conditions and had a neg. temperature dependence with kOH = 4.2 x 10-11 cm3/mol.-s at 298° K. Addnl. quantum chem. calculations for CH3NC reactions with O3 and NO3 showed these reactions are of little importance for atm. conditions. The atm. fate of CH3NC is also discussed.

Journal of Physical Chemistry A published new progress about Air (Me isocyanide atm. fate experiments using synthetic). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, HPLC of Formula: 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Xu, Pin published the artcileScalable Photoelectrochemical Dehydrogenative Cross-Coupling of Heteroarenes with Aliphatic C-H Bonds, HPLC of Formula: 123-39-7, the main research area is heteroarene photoelectrochem dehydrogenative radical cross coupling light; alkylated heteroarene preparation; C−H functionalization; electrochemistry; heterocycles; photoelectrochemistry; radical reactions.

Heteroarenes are structural motifs found in many bioactive compounds and functional materials. Dehydrogenative cross-coupling of heteroarenes with aliphatic C-H bonds provides straightforward access to functionalized heteroarenes from readily available materials. Established methods employ stoichiometric chem. oxidants under conditions of heating or light irradiation By merging electrochem. and photochem., we have achieved efficient photoelectrochem. dehydrogenative cross-coupling of heteroarenes and C(sp3)-H donors through H2 evolution, without the addition of metal catalysts or chem. oxidants. Mechanistically, the C(sp3)-H donor is converted to a nucleophilic carbon radical through H-atom transfer with chlorine atom, which is produced by light irradiation of anodically generated Cl2 from Cl-. The carbon radical then undergoes radical substitution to the heteroarene to afford alkylated heteroarene products.

Angewandte Chemie, International Edition published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, HPLC of Formula: 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Bruffaerts, Jeffrey published the artcileFormamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycles, Recommanded Product: N-Methylformamide, the main research area is amine formamide ruthenium pincer complex catalyst dehydrogenative coupling DFT; urea green preparation; alc formamide ruthenium pincer complex catalyst dehydrogenative coupling DFT; carbamate green preparation; aminoalc formamide ruthenium pincer complex catalyst dehydrogenative coupling tandem; nitrogen heterocycle green preparation.

Despite the hazardous nature of isocyanates, they remain key building blocks in bulk and fine chem. synthesis. By surrogating them with less potent and readily available formamide precursors, we herein demonstrate an alternative, mechanistic approach to selectively access a broad range of ureas, carbamates, and heterocycles via ruthenium-based pincer complex catalyzed acceptorless dehydrogenative coupling reactions. The design of these highly atom-efficient procedures was driven by the identification and characterization of the relevant organometallic complexes, uniquely exhibiting the trapping of an isocyanate intermediate. D. functional theory (DFT) calculations further contributed to shed light on the remarkably orchestrated chain of catalytic events, involving metal-ligand cooperation.

Journal of the American Chemical Society published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Recommanded Product: N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Long, Lipeng published the artcileHypervalent iodine(III) promoted tandem reaction of o-fluoroanilines with formamides to construct 2-aminobenzoxazoles, Synthetic Route of 123-39-7, the main research area is aminobenzoxazole preparation; fluoroaniline formamide tandem reaction hypervalent iodine.

A simple and practical synthesis of 2-aminobenzoxazoles I (R = H, Br, F, etc; R1 = H, Cl, COOMe, etc; R2 = R3 = H, Et, Ph, -(CH2)2O(CH2)2-, etc; R4 = H, I, CF3, etc; R5 = Cl, Br, Me, etc;) has been developed from com. available o-fluoroanilines 2-R-3-R1-4-R4-5-R5C6(F)NH2, and formamides HC(O)N(R2)(R3). This process can be performed in the absence of metal catalysts with high levels of functional group tolerance. Hypervalent iodine(III) was both an oxidant and a Lewis acid for this reaction. A variety of substituents can be introduced into each position of the benzoxazole backbone (C-4 to C-7), providing handles for further elaboration.

Organic Chemistry Frontiers published new progress about Anilines Role: RCT (Reactant), RACT (Reactant or Reagent). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Synthetic Route of 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics