Tag: M.W=50-100

Zhu, Yueying published the artcileTwo Robust Isoreticular Metal-Organic Frameworks with Different Interpenetration Degrees Exhibiting Disparate Breathing Behaviors, Synthetic Route of 123-39-7, the main research area is bismuth indium terphenyltricarboxylato complex preparation crystal structure gas adsorption.

Herein, two robust isoreticular metal-organic frameworks (MOFs), ([Bi(CPTTA)]·[Me2NH2]·2DMF) (JLU-MOF120, H4CPTTA = 5′-(4-carboxyphenyl)-[1,1′:3′,1”-terphenyl]-3,4”,5-tricarboxylic acid, DMF = N, N- DMF) and ([In(CPTTA)]·[MeNH3]·2.5H2O·1.5NMF) (JLU-MOF121, NMF = N- methylformamide), with different interpenetration degrees were successfully constructed. According to the hard-soft acid-base (HSAB) theory, high-valent metal ions and carboxylate-based ligands were selected and formed 2-fold interpenetrated structures with saturated coordinated mononuclear second building units ([M(COO)4], M = Bi, In). Owing to the features of the frameworks, JLU-MOF120 and JLU-MOF121 exhibited excellent stability, which could retain their integrity in water for at least 14 days and aqueous solutions with a pH range of 3-11 for at least 24 h. According to the structural regulation strategy, by changing the torsion angles of the ligand, the degrees of interpenetration for JLU-MOF120 and JLU-MOF121 were different, leading to various gate-opening pressures in CO2 at 195 K. Also, JLU-MOF120 exhibits the scarce potential of C2H2/CO2 separation among Bi-MOF materials at 298 K under 101 kPa, JLU-MOF121 shows high CO2/CH4 selectivity under ambient conditions (11.7 for gas mixtures of 50 and 50% and 16.1 for gas mixtures of 5 and 95%). Also, owing to the flexibility of the structure, JLU-MOF121 possesses disparate breathing behaviors for C2H2 and C2H6 at 273 and 298 K, with the differences in uptakes among C2 hydrocarbons resulting in the potentiality of C2H4 purification Overall, such HSAB theory and the structural regulation strategy could provide a valid method for constructing stable and flexible structures for the application in gas separation

Inorganic Chemistry published new progress about Crystal structure. 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

Li, Jiantang published the artcileSupramolecular interactions induced distortion of BTB ligands: breaking convention to reproduce an unusual (3,4,4)-connected MOF topology, Formula: C2H5NO, the main research area is benzene triyltribenzoate copper MOF preparation crystal mol structure; supramol distortion BTB ligand breaking convention connected MOF topol.

An unusual (3,4,4)-connected MOF topol. has been reproduced by a 4,4′,4”-benzene-1,3,5-triyl-tribenzoate (BTB) ligand which was previously judged to be not feasible to form this network. The outcome demonstrates that supramol. interactions play a key role in the formation of this highly distorted network. Moreover, this triple interpenetrated framework exhibits high BET surface area.

Dalton Transactions published new progress about Crystal structure. 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

Lin, Li-Dan published the artcileA new type of composite MOFs based on high-valent Sb(V)-based units and cuprous-halide clusters, Category: amides-buliding-blocks, the main research area is antimony copper hydroxymethylpyridinylpropanediol MOF preparation; crystal structure antimony copper hydroxymethylpyridinylpropanediol MOF.

An unusual high-valent Sb(V)-based unit [SbL2]- (L = 2-(hydroxymethyl)-2-(pyridin-4-yl)-1,3-propanediol) was developed for the 1st time to combine with various cuprous-halide clusters for the construction of a brand-new class of heterometallic MOFs. This work not only promotes the limited development of Sb-based MOFs, but also provides a practical strategy for developing new types of composite materials.

Chemical Communications (Cambridge, United Kingdom) published new progress about Crystal structure. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Category: amides-buliding-blocks.

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

Hughes, D. O. published the artcileCrystal and molecular structure of difluoroacetamide, Safety of 2,2-Difluoroacetamide, the main research area is structure difluoroacetamide; fluoroacetamide structure; acetamide fluoro structure.

The structure of difluoroacetamide was determined from 3-dimensional counter-measured data. Libration corrections were applied to the full-matrix least-squares refined parameters. The principal interat. distances are C-C 1.543 (7), C-F 1.361 (9), and 1.364 (9), C-N 1.334 (8), and C-O 1.247 (8) Å.

Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry published new progress about Crystal structure. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Safety of 2,2-Difluoroacetamide.

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

Wied, Jan K. published the artcileVolume Increments for Crystalline Borates, COA of Formula: C2H5NO, the main research area is preparation methylformamide borate volume increment unit cell coordination geometry.

A set of volume increments for ionic oxido-borates is developed for trigonal-planar and tetrahedral coordinated boron fragments in densely packed crystal structures. For this purpose, the cell volume of 277 alk.- and earth alk. borate structures was analyzed with respect to the volume of different anionic borate building units. The volume increments help to determine the number of formula equivalent in a cell which is especially useful for the structure solution process starting from powder diffraction data. This was demonstrated on a new methylammonium borate, [H3CNH3]B5O6(OH)4·CH3NHCOH which could be solved from powder x-ray diffraction data. The compound crystallizes in the monoclinic space group P1 21/c 1 with a = 7.3040(1) S, b = 11.6377(1) S, c 17.1065(3) S, β 107.2167(9)° and Z = 4. The structure model is supported as well by 1H, 11B, 13C and 15N solid-state NMR and quantum chem. calculations

European Journal of Inorganic Chemistry published new progress about Crystal structure. 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

Kamysbayev, Vladislav published the artcileCovalent surface modifications and superconductivity of two-dimensional metal carbide MXenes, Recommanded Product: N-Methylformamide, the main research area is titanium carbide MXene surface termination electronic property superconductivity.

Versatile chem. transformations of surface functional groups in two-dimensional transition-metal carbides (MXenes) open up a previously unexplored design space for this broad class of functional materials. We introduce a general strategy to install and remove surface groups by performing substitution and elimination reactions in molten inorganic salts. Successful synthesis of MXenes with oxygen, imido, sulfur, chlorine, selenium, bromine, and tellurium surface terminations, as well as bare MXenes (no surface termination), was demonstrated. These MXenes show distinctive structural and electronic properties. For example, the surface groups control interat. distances in the MXene lattice, and Tin+1Cn (n = 1, 2) MXenes terminated with telluride (Te2-) ligands show a giant (>18%) in-plane lattice expansion compared with the unstrained titanium carbide lattice. The surface groups also control superconductivity of niobium carbide MXenes.

Science (Washington, DC, United States) published new progress about Density of states. 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

Kolaskar, A. S. published the artcileNonplanar peptide unit. III. Quantum chemical calculations for related compounds and experimental x-ray diffraction data, Product Details of C2H3F2NO, the main research area is non planar distortion amide; MO peptide distortion; x ray peptide; conformation peptide.

The nonplanar distortions of the amide group in HCONH2, MeCONH2, MeCONHMe, and MeCONHEt were examined using CNDO/2 and INDO (CNDO = complete neglect of differential overlap, INDO = intermediate neglect of differential overlap) methods. The predictions from these methods are compared with the results obtained from x-ray and neutron diffraction studies on crystals of small open peptides, cyclic peptides, and amides. It is shown that the INDO results are in good agreement with observation, and that the dihedral angles θN and Δω are correlated by the relation ON = -2Δω, while θc is small and uncorrelated with Δω.

Biopolymers published new progress about Molecular orbital. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Product Details of C2H3F2NO.

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

Smirnov, Valeriy I. published the artcileThermochemical investigation of glycyl-L-alanine dissolution in aqueous solution of some acetamides and formamides at T = 298.15 K (Similarities and differences), Recommanded Product: N-Methylformamide, the main research area is acetamide formamide glycyl alanine dissolution.

The paper presents data on the glycyl-L-alanine dissolution enthalpies in aqueous solutions of formamide (FA), N-methyl-formamide (MFA), N,N-dimethylformamide (DMF), acetamide (AM), N-methyl-acetamide (NMA), and N,N-dimethylacetamide (DMA) at an organic co-solvent concentration x2 = 0 ÷ 0.25 – mole fraction and T = 298.15 K, obtained by calorimetry. The standard values of dissolution enthalpies (ΔsolHo), transfer enthalpies (ΔtrHo), and enthalpic coefficients of pairwise interaction (hxy) were calculated from these data. The dependences of the enthalpic characteristics of glycyl-L-alanine dissolution on the mixture composition and the interaction energy between the mixture components have been established. A comparative anal. of the values of the enthalpic coefficients of pairwise interactions of glycyl-L-alanine, glycyl-glycine, and glycyl-L-tyrosine in similarly mixed solvents has been carried out. A quant. assessment of the enthalpy contributions of the side-chains of glycyl-L-alanine and glycyl-L-tyrosine to the energetics of interaction with amide mols. in an aqueous solution is given.

Journal of Chemical Thermodynamics published new progress about Solution enthalpy. 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

Orlov, Alexey A. published the artcileChemoinformatics-Driven Design of New Physical Solvents for Selective CO2 Absorption, Application In Synthesis of 123-39-7, the main research area is chemoinformatic driven design phys solvent CO2 absorption; carbon dioxide; carbon monoxide; chemoinformatics; gas solubility; hydrogen; industrial gases; machine learning; methane; nitrogen.

The removal of CO2 from gases is an important industrial process in the transition to a low-carbon economy. The use of selective phys. (co-)solvents is especially perspective in cases when the amount of CO2 is large as it enables one to lower the energy requirements for solvent regeneration. However, only a few phys. solvents have found industrial application and the design of new ones can pave the way to more efficient gas treatment techniques. Exptl. screening of gas solubility is a labor-intensive process, and solubility modeling is a viable strategy to reduce the number of solvents subject to exptl. measurements. In this paper, a chemoinformatics-based modeling workflow was applied to build a predictive model for the solubility of CO2 and four other industrially important gases (CO, CH4, H2, and N2). A dataset containing solubilities of gases in 280 solvents was collected from literature sources and supplemented with the new data for six solvents measured in the present study. A modeling workflow based on the usage of several state-of-the-art machine learning algorithms was applied to establish quant. structure-solubility relationships. The best models were used to perform virtual screening of the industrially produced chems. It enabled the identification of compounds with high predicted CO2 solubility and selectivity toward other gases. The prediction for one of the compounds, 4-methylmorpholine, was confirmed exptl.

Environmental Science & Technology published new progress about Air purification. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Application In Synthesis of 123-39-7.

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

Gao, Feng published the artcileDesign, synthesis, antitumor activities and biological studies of novel diaryl substituted fused heterocycles as dual ligands targeting tubulin and katanin, Formula: C2H5NO, the main research area is imidazopyridine derivative preparation antitumor activity tubulin katanin; Antitumor; Imidazo[4,5-c]pyridin-2-one; Katanin; Tubulin polymerization.

Microtubule is one of the important targets for cancer treatment. A novel class of diaryl substituted imidazo[4,5-c]pyridin-2-ones and imidazo[4,5-c]pyridines were designed based on combination principles by merging the structures of β-lactams and purine-type compounds known as tubulin polymerization inhibitor and katanin activity up-regulator, resp. Their antitumor activities were evaluated in vitro and the mechanism was elucidated, leading to the identification of 1,6-diaryl-1H-imidazo[4,5-c]pyridin-2(3H)-one I as the first bifunctional agent that can target both tubulin and katanin simultaneously. The in vivo assays verified that compound I significantly inhibited xenograft tumor growth with good pharmacokinetic characteristics, demonstrating a promising potential for further development into anti-tumor drug candidates with a unique mechanism of dual-targeting microtubule.

European Journal of Medicinal Chemistry published new progress about Antitumor agents. 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