Tag: M.W=50-100

Zeng, Cui-Lian published the artcileCF3SO2Na-Mediated Visible-Light-Induced Cross-Dehydrogenative Coupling of Heteroarenes with Aliphatic C(sp3)-H Bonds, Safety of N-Methylformamide, the main research area is quinoline cross dehydrogenative coupling visible light Minisci type reaction; alkyl quinoline preparation.

Minisci-type reaction is one of the important means to construct C(sp3)-H functionalization of heteroarenes. According to traditional methods, stoichiometric amounts of precious transition metal catalysts and chem. oxidants were required at high temperatures Here, a green and gentle novel Minisci-type method was developed via visible-light-induced cross-dehydrogenative coupling of heteroarenes with aliphatic C(sp3)-H bonds under oxidant-free and transition-metal-catalyst-free conditions. Only the catalytic equivalent of CF3SO2Na and room temperature were required to maintain an efficient reaction.

Organic Letters published new progress about Coupling reaction (cross-dehydrogenative). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Safety of N-Methylformamide.

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

Cancelada, Lucia published the artcileHeated Tobacco Products: Volatile Emissions and Their Predicted Impact on Indoor Air Quality, Quality Control of 123-39-7, the main research area is heated tobacco product volatile emission indoor air pollution; IQOS apparatus heated tobacco product.

This work characterized emissions from IQOS, a heated tobacco product promoted as a less harmful alternative to cigarettes. Consumable tobacco plugs were analyzed by headspace gas chromatog./mass spectrometry to assess the heating temperature effect on the emission profile. Yields of major chem. constituents increased from 4.1 mg/unit at 180° to 6.2 mg at 200°, and 10.5 mg at 220°. The Health Canada Intense smoking regime was used to operate IQOS in an environmental chamber, quantifying 33 volatile organic compounds in mainstream and side-stream emissions. Aldehydes, nitrogenated species, and aromatic species were observed as were other harmful and potentially harmful compounds Compared to combustion cigarettes, IQOS yields were, in most cases, 1-2 orders of magnitude lower; however, yields were closer to and sometimes higher than, electronic cigarettes. Predicted user daily average benzene, formaldehyde, acetaldehyde and acrolein intakes were 39, 32, 2.2, and 71 μg, resp. Indoor air concentrations were estimated for commonly encountered scenarios, with acrolein levels of concern (>0.35 μg/m3) derived from IQOS used in homes and public spaces. Heated tobacco products are a weaker indoor pollution source than conventional cigarettes, but their impacts are not negligible nor fully understood.

Environmental Science & Technology published new progress about Apparatus (IQOS tobacco product heating). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Quality Control of 123-39-7.

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

Schaad, David R. published the artcileReactions of amides with zerovalent and divalent palladium and platinum complexes, Quality Control of 359-38-6, the main research area is methylplatinum photosubstitution amide triflamide trifluoroacetamide; methylpalladium photosubstitution amide triflamide trifluoroacetamide; palladium zerovalent divalent amide; platinum zerovalent divalent amide; hydroamination catalysis amidepalladium amideplatinum.

The reactions of amides (RCONH2 and CF3SO2NH2) with L2Pd(CH3)2 and L2Pt(CH3)2 and with transient L2Pt(0) to yield new complexes containing palladium- and platinum-amido nitrogen bonds are reported. Photolysis of Pt(C2O4)(PEt3)2 in the presence of amide generates products of the type trans-PtH(HNR)(PEt3)2 [R = SO2CF3 (1a), COCF3 (1b)]. Reaction of amides with trans-PtH(CH3)(PEt3)2 (2), cis-PdMe2(PEt3)2 (3), cis-PtMe2(PEt3)2 (4), PdMe2(dcpe) (5), PdMe2(dmpe) (6), and PtMe2(COD) (7) produces 1a,b, trans-PdMe(HNR)(PEt3)2 [R = SO2CF3 (3a), COCF3 (3b), COCF2H (3c), COPh (3d)], PtMe(HNR)(PEt3)2 [R = SO2CF3 (4a), COCF3 (4b)], PdMe(HNR)(dcpe) [R = SO2CF3 (5a), COCF3 (5b), COPh (5c)], PdMe(HNSO2CF3)(dmpe) (6a), and PtMe(HNR)(COD) [R = SO2CF3 (7a), COCF3 (7b)], resp. The stereochem. and topologies of the new compounds are established by multinuclear NMR spectroscopy. The relevance of these reactions to hydroaminium catalysis is discussed.

Organometallics published new progress about Coordinative photosubstitution reaction. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Quality Control of 359-38-6.

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

Aynehband, Samaneh published the artcileEfficient FAPbI3-PbS quantum dot graphene-based phototransistors, Safety of N-Methylformamide, the main research area is formamidinium lead iodide sulfide quantum dot graphene phototransistor.

The high mobility of charge carriers in graphene (G) together with the ease of processing and tunable optical properties of colloidal quantum dots (CQD) has provided high-performance hybrids for the next generation of phototransistors. In order to get a higher quality film of PbS QDs, understanding the effect of the ligand exchange method is critical So, to improve the interdot electronic coupling, we propose a new conducting ligand to prepare a dense and self-assembled active layer of FAPbI3-PbS quantum dots on G/Si/SiO2 substrates. Quantum dot (QD) nanocrystalline films were prepared via two different procedures: liquid phase ligand exchange (LPE) and solid phase ligand exchange (SPE). SPE with formamidinium lead iodide significantly increases the packing d. and surface coverage of the active layer on the graphene substrate. Efficient light absorption in the near IR region and reduced charge transport resistance in the QD film are demonstrated. The SPE fabricated graphene-based heterostructure phototransistors exhibit improved specific detectivity (by 34%) and ION/IOFF ratio (by 23%) as compared with LPE. Our findings pave a way to develop high-throughout graphene-based phototransistors based on FAPbI3-CQDs.

New Journal of Chemistry published new progress about Electric current-potential relationship. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Safety of N-Methylformamide.

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

Meddeb, Amira Barhoumi published the artcileFrom a cholesteric non-aqueous cellulose nanocrystal suspension to a highly ordered film, Formula: C2H5NO, the main research area is cellulose nanocrystal methylformamide film non aqueous suspension magnetic anisotropy.

A highly ordered cellulose nanocrystal (CNC) film was processed and characterized from a non-aqueous suspension. As a first step, by drawing upon the neg. magnetic anisotropy of CNCs, a global order of the nanocrystals is achieved by magnetic field-assisted manipulation of a cholesteric suspension in n-methylformamide (NMF), and then the order is subsequently preserved into a solid-state film. We study the differences between the structures of the 4 T-dried film and the control film dried in the absence of magnetic field. Addnl., we compare the NMF-dried films to those dried from aqueous suspensions with and without magnetic field. Optical microscopy, cross-sectional imaging anal., and sum frequency generation (SFG) spectroscopy show that the CNC-NMF film dried under magnetic field exhibited a highly ordered layered structure throughout the film, comparable to that observed when films were produced from aqueous suspensions. Extending the potential of the CNC alignment to non-aqueous systems will enable a broad spectrum of applications for CNC-based polymer composites.

MRS Advances published new progress about Cholesteric liquid crystals, polymeric. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Formula: C2H5NO.

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

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

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

Henschel, Henning published the artcileTheoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields, SDS of cas: 123-39-7, the main research area is IR spectrum similarity force field database.

IR spectroscopy can provide significant insight into the structures and dynamics of mols. of all sizes. The information that is contained in the spectrum is, however, often not easily extracted without the aid of theor. calculations or simulations. We present here the calculation of the IR spectra of a database of 703 gas phase compounds with four different force fields (CGenFF, GAFF-BCC, GAFF-ESP, and OPLS) using normal-mode anal. Modern force fields increasingly use virtual sites to describe, e.g., lone-pair electrons or the σ-holes on halogen atoms. This requires some adaptation of code to perform normal-mode anal. of such compounds,the implementation of which into the GROMACS software is briefly described as well. For the quant. comparison of the obtained spectra with exptl. reference data, we discuss the application of two different statistical correlation coefficients, Pearson and Spearman. The advantages and drawbacks of the different methods of comparison are discussed, and we find that both methods of comparison give the same overall picture, showing that present force field methods cannot match the performance of quantum chem. methods for the calculation of IR spectra.

Journal of Chemical Theory and Computation published new progress about Alcohols Role: PRP (Properties). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, SDS of cas: 123-39-7.

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

Pros, Gabrielle J. published the artcileWhy Do N-Alkylated Anilides Bend Over? The Factors Dictating the Divergent Conformational Preferences of 2° and 3° N-Aryl Amides, Recommanded Product: N-Methylformamide, the main research area is divergent conformational preference aryl amide B3LYP.

The conformational preferences of 28 sterically and electronically diverse N-aryl amides were determined using d. functional theory (DFT), using the B3LYP functional and 6-31G(d) basis set. For each compound, both the cis and trans conformers were optimized, and the difference in ground state energy calculated For six of the compounds, the potential energy surface was determined as a function of rotation about the N-aryl bond (by 5° increments) for both cis and trans conformers. A natural bond orbital (NBO) deletion strategy was also employed to determine the extent of the contribution of conjugation to the energies of each of the conformers. By comparing these computational results with previously reported exptl. data, an explanation for the divergent conformational preferences of 2° N-aryl amides and 3° N-alkyl-N-aryl amides was formulated. This explanation accounts for the observed relationships of both steric and electronic factors determining the geometry of the optimum conformation, and the magnitude of the energetic difference between cis and trans conformers: except under the most extreme scenarios, 2° amides maintain a trans conformation, and the N-bound arene lies in the same plane as the amide unless it has ortho substituents; for 3° N-alkyl-N-aryl amides in which the alkyl and aryl substituents are connected in a small ring, trans conformations are also favored, for most cases other than formamides, and the arene and amide remain in conjugation; and for 3° N-alkyl-N-aryl amides in which the alkyl and aryl substituents are not connected in a small ring, allylic strain between the two N-bound substituents forces the aryl substituent to rotate out of the plane of the amide, and the trans conformation is destabilized with respect to the cis conformation due to repulsion between the π system of the arene and the lone pairs on the oxygen atom of the carbonyl. The cis conformation is increasingly more stable than the trans conformation as electron d. is increased on the arene because the more electron-rich arenes adopt a more orthogonal arrangement, increasing the interaction with the carbonyl oxygen, while simultaneously increasing the magnitude of the repulsion due to the increased electron d. in the π system. The trans conformation is favored for 2° amides even when the arene is orthogonal to the amide, in nearly all cases, because the C-N-C bond angle can expend at the expense of the C-N-H bond angles, while this is not favorable for 3° amides.

Journal of Physical Chemistry A published new progress about Anilides Role: PRP (Properties). 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