Tag: 100-200

On January 27, 2017, Zhao, Dan; Huang, Shanshan; Qu, Menghua; Wang, Changyuan; Liu, Zhihao; Li, Zhen; Peng, Jinyong; Liu, Kexin; Li, Yanxia; Ma, Xiaodong; Shu, Xiaohong published an article.Category: amides-buliding-blocks The title of the article was Structural optimization of diphenylpyrimidine derivatives (DPPYs) as potent Bruton’s tyrosine kinase (BTK) inhibitors with improved activity toward B leukemia cell lines. And the article contained the following:

A new series of diphenylpyrimidine derivatives (DPPYs) bearing various aniline side chains at the C-2 position of pyrimidine core were synthesized as potent BTK inhibitors. Most of these inhibitors displayed improved activity against B leukemia cell lines compared with lead compound spebrutinib. Subsequent studies showed that the peculiar inhibitor I, with IC50 values of 10.5 μM against Ramos cells and 19.1 μM against Raji cells, also displayed slightly higher inhibitory ability than the novel agent ibrutinib. Moreover, compound I is not sensitive to normal cells PBMC, indicating low cell cytotoxicity. In addition, flow cytometry anal. indicated that I significantly induced the apoptosis of Ramos cells, and arrested the cell cycle at the G0/G1 phase. These explorations provided new clues to discover pyrimidine scaffold as more effective BTK inhibitors. The experimental process involved the reaction of N-(3-Aminophenyl)acrylamide(cas: 16230-24-3).Category: amides-buliding-blocks

The Article related to diphenylpyrimidine preparation bruton tyrosine kinase inhibitory activity, btk, inhibitor, leukemia, pyrimidine, synthesis, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Category: amides-buliding-blocks

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

Kisbye, J.; Byskov Madsen, N. published an article in 1977, the title of the article was Studies on sympathomimetic amines. X. Racemization of halostachine and phenylephrine.SDS of cas: 65645-88-7 And the article contains the following content:

The rates of racemization of (+)-halostachine (I) and (-)-phenylephrine (II) at 90-130° in strong acid solution are approx. equal and much lower than that for (-)-oxedrine. A linear dependence between the 1st-order rate constant and pH was observed and the activation energies and frequency factors for racemization of I and II were the same. An SN1 mechanism with carbonium ion formation as the rate-determining step was indicated. The experimental process involved the reaction of (S)-2-Hydroxy-N-methyl-2-phenylacetamide(cas: 65645-88-7).SDS of cas: 65645-88-7

The Article related to racemization halostachine phenylephrine kinetics, Physical Organic Chemistry: Rearrangements, Including Isomerization and Tautomerization and other aspects.SDS of cas: 65645-88-7

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

Weaver-Guevara, Holly M.; Fitzgerald, Ryan W.; Greenberg, Arthur published an article in 2017, the title of the article was Rotational barriers in five related amides.Recommanded Product: N,N-Diethylacetamide And the article contains the following content:

Interest in the low carbonyl IR frequency of 2-hydroxy-N,N-bis(2-hydroxyethyl)acetamide (2) initially prompted our interest in the amide rotational barrier of this mol. and four related amides that present a variety of hydrogen-bonding possibilities. In the course of this study, a previously incorrect structural assignment was established as N,N-bis[2-(acetyloxy)ethyl]-acetamide. In acetonitrile-d3, the carbonyl IR frequencies of the five amides were all essentially normal amide frequencies. Despite very different hydrogen-bonding possibilities in the five amides, no clear trends emerged in the comparison of the rotational barriers (ΔG‡), and the rotational barriers were essentially normal for amides. The rotational barrier of 2 did not vary over one order of magnitude difference in concentration The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Recommanded Product: N,N-Diethylacetamide

The Article related to amide rotational barrier, Physical Organic Chemistry: Rearrangements, Including Isomerization and Tautomerization and other aspects.Recommanded Product: N,N-Diethylacetamide

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

On January 5, 2021, Li, Yanxiong; Meng, Faming; Xu, Liang; Guo, Jun published a patent.Formula: C9H11NO2 The title of the patent was Preparation method of aprepitant intermediate (2R,3R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine. And the patent contained the following:

The title preparation method includes mixing compound I ((R)-6-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-5-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazine), chiral catalyst, acid (protonic acid such as trifluoroacetic acid, acetic acid, etc.) and solvent (chloroform, dichloromethane, etc.) for reaction to obtain the final aprepitant intermediate (2R,3R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine (compound II). The chiral catalyst is compound including bis((S)-2-amino-2-oxo-1-phenylethyl) 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, bis((S)-2-(methylamino)-2-oxo-1-phenylethyl) 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, etc. The invention has high yield and product purity, and is environment-friendly. The experimental process involved the reaction of (S)-2-Hydroxy-N-methyl-2-phenylacetamide(cas: 65645-88-7).Formula: C9H11NO2

The Article related to aprepitant intermediate preparation, morpholine fluorophenyl preparation, Heterocyclic Compounds (More Than One Hetero Atom): Oxazines (Including Morpholine) and other aspects.Formula: C9H11NO2

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

On July 31, 2022, Zhao, Zhongqian; Chen, Xiumin; Wu, Jian; Wang, Wenjing; He, Bingyang; Yin, Qi; Xu, Peilin; Liu, Li published an article.Safety of N,N-Diethylacetamide The title of the article was A Study of the Mechanism of Particle Size Control of Ferrous Oxalate Dihydrate by N,N-Diethylacetamide. And the article contained the following:

D. functional theory was used to study the effect of N,N-diethylacetamide (DEAc) in the preparation of ferrous oxalate dihydrate. The calculation results indicated that DEAc mols. can affect the growth of ferrous oxalate dihydrate crystals by hydrogen bonding and van der Waals forces with C2O2-4 or H2O in ferrous oxalate dihydrate crystals. DEAc encases ferrous oxalate dihydrate crystals to inhibit crystal growth, and preferentially binds to both sides of C2O2-4 to control the axial growth of ferrous oxalate dihydrate crystals. The exptl. program was conducted based on these theor. calculation results. Rod-shaped particles with a particle size of 100 nm were obtained by adding DEAc during the preparation of ferrous oxalate dehydrate. Therefore, DEAc had a significant effect on the particle size of the ferrous oxalate dihydrate. The theor. calculations were thus confirmed by the exptl. results. And this work explains the growth mechanism of the ferrous oxalate dihydrate. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Safety of N,N-Diethylacetamide

The Article related to ferrous oxalate dihydrate diethylacetamide particle size control, Phase Equilibriums, Chemical Equilibriums, and Solutions: Nonelectrolytic Solutions and other aspects.Safety of N,N-Diethylacetamide

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

On May 31, 2020, Mehmood, Arshad; Janesko, Benjamin G. published an article.Name: N,N-Diethylacetamide The title of the article was Extending the Marcus μ-Scale of Solvent Softness Using Conceptual Density Functional Theory and the Orbital Overlap Distance: Method and Application to Ionic Liquids. And the article contained the following:

Abstract: The chem. hardness of a solvent can play a decisive role in solubility and reactivity in solution Several empirical scales quantifying solvent softness have been proposed. We explore whether computed properties of solvent mols. can reproduce these exptl. scales. Our “orbital overlap distance” quantifying the size of orbitals at a mol.’s surface effectively reproduces the Marcus μ-scale of solvent softness. The orbital overlap distance predicts that the surface of chem. hard solvent mols. is dominated by compact orbitals possessing a small orbital overlap distance. In contrast, the surface of chem. soft solvent mols. has a larger contribution from diffuse orbitals and a larger orbital overlap distance. Other conceptual d. functional theory descriptors, including the global hardness and electronegativity, can also reproduce the Marcus scale. We further introduce a “solvent versatility” RMSD Dsurf scale quantifying variations in the surface orbital overlap distance. “Good” solvents such as DMSO, which combine chem. “hard” and “soft” sites within a single mol., possess a large RMSD Dsurf. We conclude by applying this approach to predict the Marcus μ-parameters for widely-used ionic liquids and ionic liquid-cosolvent systems. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Name: N,N-Diethylacetamide

The Article related to ionic liquid solvent softness density functional theory, Phase Equilibriums, Chemical Equilibriums, and Solutions: Nonelectrolytic Solutions and other aspects.Name: N,N-Diethylacetamide

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

On November 30, 2018, Earle Waghorne, W.; O’Farrell, Christina published an article.Product Details of 685-91-6 The title of the article was Solvent Basicity, A Study of Kamlet-Taft β and Gutmann DN Values Using Computationally Derived Molecular Properties. And the article contained the following:

Solvent basicity is recognized as playing a major role in solvation and is included, through empirical basicity parameters, in linear free energy relationships that account for the effects of changes in solvent on chem. reactions. It is reasonable to postulate that the basicity of a solvent mol. reflects some combination of its mol. properties. In the present study, d. functional calculations using the B3LYP functional, and Hartree-Fock calculations have been used to calculate the partial at. charges (using the Hirshfeld and CM5 models), orbital energies, polarizabilities, dipole moments and quadrupolar amplitudes for over one hundred mols. for which there are exptl. values for two basicity parameters, Kamlet and Taft’s hydrogen bond acceptor strength, β, and Gutmann’s donor number, DN, a measure of Lewis basicity. Regression of the exptl. β and DN values against mol. descriptors reflecting the above mol. properties yields a remarkably consistent picture. For both parameters the values for alcs. and amines lie systematically off of the regression lines through the remaining compounds, which include alkanes, aromatics, halogenated alkanes and aromatics, esters, carbonates, carboxylic acids, ketones, ethers, nitriles, phosphates, sulfides and sulfates. Independent of the calculation method or method of estimating the partial at. charges, both exptl. β and DN are essentially determined by two mol. properties: the charge on the most neg. atom of the mol. and the MO from which charge donation would occur. The regression results using any of the fours sets of descriptors (reflecting the two calculation methods and two methods of charge estimation) are remarkably similar for β and DN supporting the view that these are measures of the same “basicity”. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Product Details of 685-91-6

The Article related to kamlet taft gutmann donor number mol property, Phase Equilibriums, Chemical Equilibriums, and Solutions: Nonelectrolytic Solutions and other aspects.Product Details of 685-91-6

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

On October 16, 2018, Shu, Xiaohong; Chi, Fuyun; Yang, Song; Ma, Xiaodong; Li, Chuangang; Li, Hong; Wu, Moli; Zhen, Yuhong; Diao, Yunpeng; Song, Danyang; Li, Hui; Jin, Junmei published a patent.HPLC of Formula: 16230-24-3 The title of the patent was Thiopyrimidine heterocyclic antitumor compound and preparation method and its use. And the patent contained the following:

A thiopyrimidine heterocyclic antitumor compound for the treatment of small cell lung cancer, non-small cell lung cancer, EGFR-T790M mutant non-small cell lung cancer is provided. The compound is represented by the formula I, or a pharmaceutically acceptable salt thereof, which inhibits wild-type EGFR, mutant EGFR-T790M epidermal factor receptor protein tyrosine kinase, where X is O or NH; M is S(O)n; n is 0 or 1; R is alkyl-morpholine. The experimental process involved the reaction of N-(3-Aminophenyl)acrylamide(cas: 16230-24-3).HPLC of Formula: 16230-24-3

The Article related to thiopyrimidine heterocyclic antitumor, Heterocyclic Compounds (More Than One Hetero Atom): Oxazines (Including Morpholine) and other aspects.HPLC of Formula: 16230-24-3

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

On January 31, 2021, Spange, Stefan; Weiss, Nadine; Schmidt, Caroline H.; Schreiter, Katja published an article.Category: amides-buliding-blocks The title of the article was Reappraisal of Empirical Solvent Polarity Scales for Organic Solvents. And the article contained the following:

Correlations of Reichardt ‘s ET(30), the Catalan SdP (solvent dipolarity), SP (solvent polarizability), SA (solvent acidity), SB (solvent basicity), Kamlet-Taft π* (dipolarity/polarizability), α (hydrogen bond donating ability) and β (hydrogen bond accepting ability) polarity parameters with the molar concentration of 161 pure organic solvents are presented. Mostly, linear relationships of the polarity parameter as a function of molar concentration are obtained as long as each individual solvent class is considered sep. A phys. different interpretation of the ET(30), Kamlet-Taft π* and α as well as Catalan SA and SB parameters has been proposed. Furthermore, the Hildebrand solubility parameter in combination with the diffraction index is used for the correlation anal. with the above-mentioned solvent parameters. It can be concluded that empirical polarity parameters derived from solvatochromic UV/Vis measurements are inherently a function of the mol. structure of the probe. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Category: amides-buliding-blocks

The Article related to organic solvent empirical polarity, Phase Equilibriums, Chemical Equilibriums, and Solutions: Nonelectrolytic Solutions and other aspects.Category: amides-buliding-blocks

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

On January 31, 2017, Mokhov, V. M.; Butov, G. M.; Saad, K. R. published an article.Formula: C6H13NO The title of the article was Chemical transformations of tetracyclo[3.3.1.13,7.01,3]decane (1,3-dehydroadamantane): II. Reaction of 1,3-dehydroadamantane with N,N-dialkylcarboxamides. And the article contained the following:

Alkylation of N,N-dialkylcarboxamides with 1,3-dehydroadamantane has been accomplished for the first time [e.g., I + N,N-dimethylacetamide → II (59%)]. The reaction involves the C-H bond in the α-position with respect to the carbonyl group and provides a convenient one-step preparation of substituted carboxylic acid amides containing an 1-adamantyl substituent and a pharmacophoric group in the amide moiety. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Formula: C6H13NO

The Article related to alkylation tertiary amide dehydroadamantane, carboxamide adamantyl derivative preparation, Alicyclic Compounds: Tricyclic Compounds and Higher Analogs, Including Adamantanes, Fullerenes and other aspects.Formula: C6H13NO

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