Author: Jessica.F

Ahmad, Kaleem published the artcileQuantum mechanical study of coordination ability of amides using eigen value parameters, Product Details of C2H5NO, the main research area is amide eigen value MO character.

It is well known fact that the bonding occurs at oxygen atom in the Amides compounds In order to prove this fact we have considered eighteen Amides compounds Present study deals to calculate their Eigen value using Quantum Mech. descriptors via Cache software. With the help of Eigen values, the concentrations of electrons on oxygen and nitrogen atoms of Amides compounds have been calculated In Amides compounds, the sum of contributions of p-orbitals of oxygen atom in the formation of MOs is smaller as compared to other atoms. This indicates that the bonding takes place at oxygen atom.

International Journal of Research in Chemistry and Environment published new progress about Acetamides Role: PRP (Properties). 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

Li, Zhou published the artcileDipole-Supported Electronic Resonances Mediate Electron-Induced Amide Bond Cleavage, COA of Formula: C2H5NO, the main research area is formamide dipole moment excited singlet state dissociative electron capture.

Dissociative electron attachment (DEA) plays a key role in radiation damage of biomols. under high-energy radiation conditions. The initial step in DEA is often rationalized in terms of resonant electron capture into one of the metastable valence states of a mol. followed by its fragmentation. Our combined theor. and exptl. investigations indicate that the manifold of states responsible for electron capture in the DEA process can be dominated by core-excited (shake-up) dipole-supported resonances. Specifically, we present the results of exptl. and computational studies of the gas-phase DEA to three prototypical peptide mols., formamide, N-methylformamide , and N,N-dimethyl-formamide. In contrast to the case of electron capture by pos. charged peptides in which amide bond rupture is rare compared to N-Cα bond cleavage, fragmentation of the amide bond was observed in each of these three mols. The ion yield curves for ions resulting from this amide bond cleavage, such as NH2- for formamide, NHCH3- for NMF, and N(CH3)2- for DMF, showed a double-peak structure in the region between 5 and 8 eV. The peaks are assigned to Feshbach resonances including core-excited dipole-supported resonances populated upon electron attachment based on high-level electronic structure calculations Moreover, the lower energy peak is attributed to formation of the core-excited resonance that correlates with the triplet state of the neutral mol. The latter process highlights the role of optically spin-forbidden transitions promoted by electron impact in the DEA process.

Physical Review Letters published new progress about Binding energy (vertical electron). 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

Kaczorek, Dorota published the artcileHighly stereoselective synthesis of non-racemic 3-substituted dihydro-benzo[de]isoquinolinones via an addition-cyclization-substitution method, Related Products of amides-buliding-blocks, the main research area is dihydrobenzoisoquionlinone preparation enantioselective; sulfinylimine preparation Grignard reagent addition cyclization substitution reaction.

Substituted dihydrobenzo[de]isoquinolinones (R/S)-I (R = Me, Bu, Ph, 2-methoxy Ph, etc.) were synthesized via diastereoselective addition of Grignard reagents RMgBr to the N-tert-butylsulfinylimine (R/S)-II derived from 1,8-naphthaldehydic Me ester, followed by cyclization and substitution at the sulfur atom. The products were obtained in 25-98% yield and with enantiomeric excess of 46-99%.

Tetrahedron Letters published new progress about Addition reaction, stereoselective. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Related Products of amides-buliding-blocks.

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

Mendes, Joseane A. published the artcileEnantioselective Synthesis, DFT Calculations, and Preliminary Antineoplastic Activity of Dibenzo 1-Azaspiro[4.5]decanes on Drug-Resistant Leukemias, Product Details of C4H11NOS, the main research area is diastereoselective addition magnesium bromide chiral imine tetralone type ketone; dibenzo azaspirodecane preparation sulfinamide derivative intermediate arylation; azaspiro compound DFT calculation antineoplastic activity drug resistant leukemia.

The addition of 2-bromobenzylmagnesium bromide to chiral N-tert-butanesulfinyl imines derived from tetralone-type ketones proceeds with high levels of diastereocontrol. The resulting sulfinamide derivatives were transformed into dibenzoazaspiro compounds after a palladium-catalyzed intramol. N-arylation. DFT calculations have been performed to rationalize the stereochem. course of the reaction. Similar results have been obtained considering either di-Et ether or toluene as a solvent, in both cases in an excellent agreement with exptl. findings. NCI topol. calculations have also been used to evidence crucial noncovalent interactions. In addition, the azaspiro compounds reduced the viability of chronic myeloid leukemia cells in the micromolar range. Notably, both the halogen-substituted (R)- and (S)-I (R = F, X = CH2) and I (R = Br, X = CH2) as well as (R)-I (R = H, X = S) were at least two times more effective on a multidrug-resistant derivative than on the parental cell line, exerting a collateral sensitivity effect.

Journal of Organic Chemistry published new progress about Addition reaction, stereoselective. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Product Details of C4H11NOS.

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

Nie, Xiao-Di published the artcileA diastereoselective approach to amino alcohols and application for divergent synthesis of dolastatin 10, Formula: C4H11NOS, the main research area is amino alc enantioselective diastereoselective synthesis; chiral imine radical addition benzyloxymethylsulfonyl pyridine catalyst samarium diiodide; dolastatin synthesis antitumor agent chirality peptide coupling.

A diastereoselective approach to obtain amino alcs. through SmI2-induced radical addition of chiral imine with 2-(benzyloxymethylsulfonyl)pyridine is described. This approach was easily used for the synthesis of non-natural amino acid (I) hydrochloride, a flexible key fragment whose utility was demonstrated in the divergent synthesis of dolastatin 10 and its nine analogs were obtained.

Organic Chemistry Frontiers published new progress about Addition reaction catalysts (SmI2). 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Formula: C4H11NOS.

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

Carotti, Angelo published the artcileInhibition of carbonic anhydrase by substituted benzenesulfonamides. A reinvestigation by QSAR and molecular graphics analysis, Computed Properties of 35203-88-4, the main research area is carbonic anhydrase inhibitor benzenesulfonamide QSAR.

The inhibition of bovine carbonic anhydrase B by an appropriately designed set of m- and p-substituted benzenesulfonamides (I, R = H, halo, alkoxy, aryl, etc.) was studied. From the results the following quant. structure-activity relationship was derived: log 1/Ki = 0.95σ + 0.54π – 0.35B5,3 + 6.29. In this equation Ki is the inhibition constant, σ is the Hammett constant, π is the hydrophobic parameter and B5,3 is the sterimol steric parameter for the m-substituents. Using this equation, a new congener was designed and synthesized and the Ki for a new congener intended to maximize the inhibitory potency (1/Ki) was predicted. The interactions involved in the enzyme-inhibitors binding as suggested by the correlation equation, have been tentatively interpreted using computer built 3-D mol. models based on the published X-ray crystallog. coordinates of the free and inhibitor-bound carbonic anhydrase. The results from our analyses have been compared with those obtained in some previous QSAR analyses.

Quantitative Structure-Activity Relationships published new progress about Arenesulfonamides Role: USES (Uses). 35203-88-4 belongs to class amides-buliding-blocks, name is 3-Acetylbenzenesulfonamide, and the molecular formula is C8H9NO3S, Computed Properties of 35203-88-4.

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

Bester, Stephanie M. published the artcileStructural and mechanistic bases for a potent HIV-1 capsid inhibitor, Product Details of C4H11NOS, the main research area is GS 6207 preparation antiviral HIV1 capsid inhibitor.

The potent HIV-1 capsid inhibitor GS-6207 is an investigational principal component of long-acting antiretroviral therapy. We found that GS-6207 inhibits HIV-1 by stabilizing and thereby preventing functional disassembly of the capsid shell in infected cells. X-ray crystallog., cryo-electron microscopy, and hydrogen-deuterium exchange experiments revealed that GS-6207 tightly binds two adjoining capsid subunits and promotes distal intra- and inter-hexamer interactions that stabilize the curved capsid lattice. In addition, GS-6207 interferes with capsid binding to the cellular HIV-1 cofactors Nup153 and CPSF6 that mediate viral nuclear import and direct integration into gene-rich regions of chromatin. These findings elucidate structural insights into the multimodal, potent antiviral activity of GS-6207 and provide a means for rationally developing second-generation therapies.

Science (Washington, DC, United States) published new progress about Anti-HIV agents (anti-HIV-1 agents). 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Product Details of C4H11NOS.

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

Wang, Kaixuan published the artcileCatalytic asymmetric [3+2] cycloaddition of isomunchnones with methyleneindolinones, Application of N-Methylformamide, the main research area is chiral oxa bridged spiropiperidine oxindole preparation enantio diastereoselective; diazoimide methyleneindolinone dipolar cycloaddition rhodium zinc catalyst.

An efficient enantioselective [3+2] cycloaddition of isomunchnones with methyleneindolinones that are generated by an in situ intramol. addition of the carbonyl group to rhodium carbenes is realized with a chiral N,N’-dioxide/Zn(II) complex as a Lewis acid. A series of chiral oxa-bridged 3-spiropiperidines are obtained in high yields with excellent dr and excellent ee values.

Chemical Communications (Cambridge, United Kingdom) published new progress about 1,3-Dipolar cycloaddition catalysts. 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

Bendelsmith, Andrew J. published the artcileEnantioselective Synthesis of α-Allyl Amino Esters via Hydrogen-Bond-Donor Catalysis, Synthetic Route of 343338-28-3, the main research area is chloro glycinate enantioselective allylation squaramide catalyst allylstannane allylsilane; allyl amino ester chiral preparation.

Chiral-squaramide-catalyzed enantio- and diastereoselective synthesis of α-allyl amino esters is reported. The optimized protocol provides access to N-carbamoyl-protected amino esters via nucleophilic allylation of readily accessible α-chloro glycinates. A variety of useful α-allyl amino esters were prepared, including crotylated products bearing vicinal stereocenters that are inaccessible through enolate alkylation, with high enantioselectivity (up to 97% ee) and diastereoselectivity (>10:1). The reactions display 1st-order kinetic dependence on both the α-chloro glycinate and the nucleophile, consistent with rate-limiting C-C bond formation. Computational anal. of the uncatalyzed reaction predicts an energetically inaccessible iminium intermediate, and a lower energy concerted SN2 mechanism.

Journal of the American Chemical Society published new progress about Allylation kinetics (stereoselective). 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Synthetic Route of 343338-28-3.

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

Xiao, Miao published the artcileTransition-Metal-Free Hydrogen Autotransfer: Diastereoselective N-Alkylation of Amines with Racemic Alcohols, Quality Control of 343338-28-3, the main research area is diastereoselective alkylation amines alc chiral amine synthesis; alcohols; alkylation; amines; deuterium; reaction mechanisms.

A practical method for the synthesis of α-chiral amines by alkylation of amines with alcs. in the absence of any transition-metal catalysts has been developed. Under the co-catalysis of a ketone and NaOH, racemic secondary alcs. reacted with Ellman’s chiral tert-butanesulfinamide by a hydrogen autotransfer process to afford chiral amines with high diastereoselectivities (up to >99:1) [e.g., 1-phenylethanol + (R)-(+)-tert-butanesulfinamide → I (70%, > 95:5 d.r.) in presence of acetophenone and NaOH in toluene]. Broad substrate scope and up to a 10 g scale production of chiral amines were demonstrated. The method was applied to the synthesis of chiral deuterium-labeled amines with high deuterium incorporation and optical purity, including examples of chiral deuterated drugs. The configuration of amine products is found to be determined solely by the configuration of the chiral tert-butanesulfinamide regardless of that of alcs., and this is corroborated by DFT calculations Further mechanistic studies showed that the reaction is initiated by the ketone catalyst and involves a transition state similar to that proposed for the Meerwein-Ponndorf-Verley (MPV) reduction, and importantly, it is the interaction of the sodium cation of the base with both the nitrogen and oxygen atoms of the sulfinamide moiety that makes feasible, and determines the diastereoselectivity of, the reaction.

Angewandte Chemie, International Edition published new progress about Alkylation catalysts, stereoselective. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Quality Control of 343338-28-3.

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