Month: October 2021

An article Determination of pK(a) values of fluorocompounds in water using F-19 NMR WOS:000469260700009 published article about DISSOCIATION-CONSTANTS; CHEMICAL CONSTITUTION; MONOCARBOXYLIC ACIDS in [Parman, Elisabeth; Toom, Lauri; Selberg, Sigrid; Leito, Ivo] Univ Tartu, Tartu, Estonia in 2019, Cited 21. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. SDS of cas: 98-17-9

Bronsted acidities of 19 fluorocompounds in the pK(a) range from 3.5 to 10 have been measured in aqueous solution using an approach involving absolute and relative pK(a) measurements with F-19 NMR. F-19 NMR has not been frequently used for determining pK(a) values, but it has a number of advantages, especially when relative values are considered: accurate concentrations not needed, tolerant to impurities, several compounds can be measured simultaneously, several uncertainty sources cancel out.

SDS of cas: 98-17-9. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Parman, E; Toom, L; Selberg, S; Leito, I or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Authors Pertschi, R; Weibel, JM; Pale, P; Blanc, A in AMER CHEMICAL SOC published article about GOLD; CYCLIZATION; COMPLEXES; ENTRY; RING in [Pertschi, Romain; Weibel, Jean-Marc; Pale, Patrick; Blanc, Aurelien] Univ Strasbourg, Lab Synth React Organ & Catalyse, Inst Chim, CNRS,UMR 7177, 4 Rue Blaise Pascal, F-67070 Strasbourg, France in 2019.0, Cited 39.0. Category: indole-building-block. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6

The synthesis of benzosultams has been achieved through a gold(I)-catalyzed ammonium formation strategy. Starting from easily available N-(2-alkynyl)-phenylsulfonyl azetidine derivatives, a cyclization reaction generated a spiroammonium gold intermediate that was ring-opened by nucleophilic alcohol or indole. This new methodology is compatible with the large variation in the substrates and nucleophiles and allowed the formation of benzosultams in high yield (18-98, 20 examples). This strategy also allowed the preparation of benzosultam analogs via iododeauration and subsequent cross-coupling reactions.

Category: indole-building-block. About Benzyl Alcohol, If you have any questions, you can contact Pertschi, R; Weibel, JM; Pale, P; Blanc, A or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

In 2020 J AGR FOOD CHEM published article about 6 LEAF VEGETABLES; PROTOPORPHYRINOGEN; RESIDUE in [Zhao, Li-Xia; Jiang, Mao-Jun; Hu, Jia-Jun; Zou, Yue-Li; Cheng, Yuan; Ren, Tao; Gao, Shuang; Fu, Ying; Ye, Fei] Northeast Agr Univ, Coll Sci, Dept Appl Chem, Harbin 150030, Peoples R China in 2020, Cited 42. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. HPLC of Formula: C7H5F3O

To seek new protoporphyrinogen oxidase (PPO) inhibitors with better biological activity, a series of novel diphenyl ether derivatives containing tetrahydrophthalimide were designed based on the principle of substructure splicing and bioisomerization. PPO inhibition experiments exhibited that 6c is the most potential compound, with the half-maximal inhibitory concentration (IC50) value of 0.00667 mg/L, showing 7 times higher activity than Oxyfluorfen (IC50 = 0.0426 mg/L) against maize PPO and similar herbicidal activities to Oxyfluorfen in weeding experiments in greenhouses and field weeding experiments. In view of the inspected bioactivities, the structure-activity relationship (SAR) of this series of compounds was also discussed. Crop selection experiments demonstrate that compound 6c is safe for soybeans, maize, rice, peanuts, and cotton at a dose of 300 g ai/ha. Accumulation analysis experiments showed that the accumulation of 6c in some crops (soybeans, peanuts, and cotton) was significantly lower than Oxyfluorfen. Current work suggests that compound 6c may be developed as a new herbicide candidate in fields.

HPLC of Formula: C7H5F3O. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Zhao, LX; Jiang, MJ; Hu, JJ; Zou, YL; Cheng, Y; Ren, T; Gao, S; Fu, Y; Ye, F or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Recently I am researching about FRIEDEL-CRAFTS REACTIONS; ONE-POT SYNTHESIS; COUPLING REACTIONS; ALKYL-HALIDES; OXIDATIVE ADDITION; ZINC REAGENTS; ARYL HALIDES; DIARYLMETHANES; BROMIDES; ETHERS, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21772072, 22071084]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Guo, P; Wang, K; Jin, WJ; Xie, H; Qi, LL; Liu, XY; Shu, XZ. The CAS is 100-51-6. Through research, I have a further understanding and discovery of Benzyl Alcohol. COA of Formula: C7H8O

Catalytic transformation of alcohols via metal-catalyzed cross-coupling reactions is very important, but it typically relies on a multistep procedure. We here report a dynamic kinetic cross-coupling approach for the direct functionalization of alcohols. The feasibility of this strategy is demonstrated by a nickel-catalyzed cross-electrophile arylation reaction of benzyl alcohols with (hetero)aryl electrophiles. The reaction proceeds with a broad substrate scope of both coupling partners. The electron-rich, electron-poor, and ortho-/meta-/para-substituted (hetero)aryl electrophiles (e.g., Ar-OTf, Ar-I, Ar-Br, and inert Ar-Cl) all coupled well. Most of the functionalities, including aldehyde, ketone, amide, ester, nitrile, sulfone, furan, thiophene, benzothiophene, pyridine, quinolone, Ar-SiMe3, Ar-Bpin, and Ar-SnBu3, were tolerated. The dynamic nature of this method enables the direct arylation of benzylic alcohol in the presence of various nucleophilic groups, including nonactivated primary/secondary/tertiary alcohols, phenols, and free indoles. It thus offers a robust alternative to existing methods for the precise construction of diarylmethanes. The synthetic utility of the method was demonstrated by a concise synthesis of biologically active molecules and by its application to peptide modification and conjugation. Preliminary mechanistic studies revealed that the reaction of in situ formed benzyl oxalates with nickel, possibly via a radical process, is an initial step in the reaction with aryl electrophiles.

COA of Formula: C7H8O. About Benzyl Alcohol, If you have any questions, you can contact Guo, P; Wang, K; Jin, WJ; Xie, H; Qi, LL; Liu, XY; Shu, XZ or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

SDS of cas: 150-19-6. Recently I am researching about BETA-SCISSION REACTIONS; MULTIREFERENCE PERTURBATION-THEORY; CENTERED RADICAL-ADDITION; REACTION-RATE PREDICTION; BENZENE PLUS OH; ACTIVATION-ENERGIES; BIO-OILS; REACTION-MECHANISM; ANISOLE PYROLYSIS; THERMAL-CRACKING, Saw an article supported by the The Computational Chemistry Consortium (C3); C3 consortium. Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Maffei, LP; Faravelli, T; Cavallotti, C; Pelucchi, M. The CAS is 150-19-6. Through research, I have a further understanding and discovery of m-Methoxyphenol

The recent interest in bio-oils combustion and the key role of mono-aromatic hydrocarbons (MAHs) in existing kinetic frameworks, both in terms of poly-aromatic hydrocarbons growth and surrogate fuels formulation, motivates the current systematic theoretical investigation of one of the relevant reaction classes in MAHs pyrolysis and oxidation:ipsosubstitution by hydrogen. State-of-the-art theoretical methods and protocols implemented in automatized computational routines allowed to investigate 14 different potential energy surfaces involving MAHs with hydroxy and methyl single (phenol and toluene) and double (o-,m-,p-C6H4(OH)(2),o-,m-,p-CH3C6H4OH, ando-,m-,p-C6H4(CH3)(2)) substituents, providing rate constants for direct implementation in existing kinetic models. The accuracy of the adopted theoretical method was validated by comparison of the computed rate constants with the available literature data. Systematic trends in energy barriers, pre-exponential factors, and temperature dependence of the Arrhenius parameters were found, encouraging the formulation of rate rules for ipsosubstitutions on MAHs. The rules here proposed allow to extrapolate from a reference system the necessary activation energy and pre-exponential factor corrections for a large number of reactions from a limited set of electronic structure calculations. We were able to estimate rate constants for other 63 ipsoaddition-elimination reactions on di-substituted MAHs, reporting in total 75 rate constants for ipsosubstitution reactionso-,m-,p-R ‘ C6H4R + -> C6H5R + ‘, with R,R ‘ = OH/CH3/OCH3/CHO/C2H5, in the 300-2000 K range. Additional calculations performed for validation showed that the proposed rate rules are in excellent agreement with the rate constants calculated using the full computational protocol in the 500-2000 K range, generally with errors below 20%, increasing up to 40% in a few cases. The main results of this work are the successful application of automatized electronic structure calculations for the derivation of accurate rate constants for ipsosubstitution reactions on MAHs, and an efficient and innovative approach for rate rules formulation for this reaction class.

SDS of cas: 150-19-6. About m-Methoxyphenol, If you have any questions, you can contact Maffei, LP; Faravelli, T; Cavallotti, C; Pelucchi, M or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Recently I am researching about MUKAIYAMA ALDOL REACTION; REACTION 40YEARS; DRUG DISCOVERY; HETEROCYCLES; EXPANSIONS; REAGENTS; LACTONES; ACCESS, Saw an article supported by the NSFCNational Natural Science Foundation of China (NSFC) [91956114]; Hong Kong RGCHong Kong Research Grants Council [16302318]; Jiangsu Key Laboratory of Advanced Catalytic Materials and Technology [BM2012110]; Jiangsu specially appointed professors program. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Huang, H; Zhang, TY; Sun, JW. The CAS is 150-76-5. Through research, I have a further understanding and discovery of Mequinol. Name: Mequinol

Mild oxetane opening by soft carbon nucleophiles has been developed for efficient C-C bond formation. In the presence of LiNTf2 or TBSNTf2 as catalyst, silyl ketene acetals were found to be effective nucleophiles to generate a wide range of highly oxygenated molecules, which are key substructure in natural products like polyketides. Furthermore, intramolecular oxetane opening by a styrene-based carbon nucleophile via a Prins-type process was also achieved with Sc(OTf)(3) as catalyst, leading to efficient formation of the useful 2,3-dihydrobenzo[b]oxepine skeleton.

Name: Mequinol. About Mequinol, If you have any questions, you can contact Huang, H; Zhang, TY; Sun, JW or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Recently I am researching about MOLECULAR-DYNAMICS; ASSAY, Saw an article supported by the National Research Foundation-South Africa (NRF-SA)National Research Foundation – South Africa [103728, 112079, 129247]. Recommanded Product: 3,4-Dimethoxybenzaldehyde. Published in ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER in ISSY-LES-MOULINEAUX ,Authors: Kayamba, F; Malimabe, T; Ademola, IK; Pooe, OJ; Kushwaha, ND; Mahlalela, M; van Zyl, RL; Gordon, M; Mudau, PT; Zininga, T; Shonhai, A; Nyamori, VO; Karpoormath, R. The CAS is 120-14-9. Through research, I have a further understanding and discovery of 3,4-Dimethoxybenzaldehyde

Presently, artemisinin-based combination therapy (ACT) is the first-line therapy of Plasmodium falciparum malaria. With the emergence of malaria parasites that are resistant to ACT, alternative antimalarial therapies are urgently needed. In line with this, we designed and synthesised a series of novel N-(7chloroquinolin-4-yl)-N’-(4,6-diphenylpyrimidin-2-yl)alkanediamine hybrids (6a-7c) and evaluated their inhibitory activity against the NF54 chloroquine-susceptible strain as a promising class of antimalarial compounds. The antiplasmodial screening revealed that seven analogues showed promising to good activity with half-maximal inhibitory concentration ( IC50) = 0.32 mu Me4.30 mM. Compound 7a with 1,4-diamine butyl linker and 4-hydroxyl phenyl on fourth and sixth position of pyrimidine core showed the most prominent activity with an IC50 value of 0.32 +/- 0.06 mM, with a favourable safety profile of 9.79 to human kidney epithelial (HEK293) cells. The remaining six analogues showed moderate activity with IC50 values ranging from 7.50 mM to 83.01 mM. We further investigated the binding affinities of the molecules to two essential cytosolic P. falciparum heat shock protein 70 homologues; PfHsp70-1 and PfHsp70-z. Compound 7a exhibited the highest binding affinity for both PfHsp70s with K-D in a lower nanomolar range (4.4-11.4 nM). Furthermore, molecular docking revealed that compounds 6, 6k, 7b and 7a exhibited better fitness in PfHsp70-1 with compound 7a showing the highest and lowest binding scores of similar to 9.8 kcal/mol. Therefore, we speculate that PfHsp70-1 is one of the targets of these inhibitors. The bioisoteric replacement of the groups at phenyl ring at the fourth and sixth position of the pyrimidine core had a constructive association with antiplasmodial activity. The promising antiplasmodial activity of the synthesised analogues illustrates how crucial molecular hybridisation is as a strategy in the development of quinoline-pyrimidine hybrids as prospective antiprotozoal agents. (C) 2021 Elsevier Masson SAS. All rights reserved.

Recommanded Product: 3,4-Dimethoxybenzaldehyde. About 3,4-Dimethoxybenzaldehyde, If you have any questions, you can contact Kayamba, F; Malimabe, T; Ademola, IK; Pooe, OJ; Kushwaha, ND; Mahlalela, M; van Zyl, RL; Gordon, M; Mudau, PT; Zininga, T; Shonhai, A; Nyamori, VO; Karpoormath, R or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

SDS of cas: 123-11-5. Milovic, E; Jankovic, N; Bogdanovic, GA; Petronijevic, J; Joksimovic, N in [Milovic, Emilija; Petronijevic, Jelena; Joksimovic, Nenad] Univ Kragujevac, Fac Sci, Dept Chem, Radoja Domanovica 12, Kragujevac 34000, Serbia; [Jankovic, Nenad] Univ Kragujevac, Inst Informat Technol Kragujevac, Dept Sci, Kragujevac 34000, Serbia; [Bogdanovic, Goran A.] Univ Belgrade, VINCA Inst Nucl Sci, Natl Inst Republ Serbia, POB 522, Belgrade 11001, Serbia published On water synthesis of the novel 2-oxo-1,2,3,4-tetrahydropyrimidines in 2021, Cited 30. The Name is 4-Methoxybenzaldehyde. Through research, I have a further understanding and discovery of 123-11-5.

A simple on water approach for the synthesis of novel tetrahydropyrimidine (THPM) derivatives has been developed under a green and sustainable fashion. For the first time, a deuterated Biginelli’s hybrid was synthesized. Novel THPMs are suitable for further derivatization and could be an excellent toolkit for lead-oriented synthesis and/or cross-coupling reactions. (C) 2020 Elsevier Ltd. All rights reserved.

About 4-Methoxybenzaldehyde, If you have any questions, you can contact Milovic, E; Jankovic, N; Bogdanovic, GA; Petronijevic, J; Joksimovic, N or concate me.. SDS of cas: 123-11-5

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Safety of 4-Methoxybenzaldehyde. Authors Rej, S; Chatani, N in AMER CHEMICAL SOC published article about in [Rej, Supriya; Chatani, Naoto] Osaka Univ, Dept Appl Chem, Fac Engn, Suita, Osaka 5650871, Japan in 2021, Cited 51. The Name is 4-Methoxybenzaldehyde. Through research, I have a further understanding and discovery of 123-11-5

Organoboron reagents are important synthetic intermediates and have wide applications in synthetic organic chemistry. The selective borylation strategies that are currently in use largely rely on the use of transition-metal catalysts. Hence, identifying much milder conditions for transition-metal-free borylation would be highly desirable. We herein present a unified strategy for the selective C-H borylation of electron-deficient benzaldehyde derivatives using a simple metal-free approach, utilizing an imine transient directing group. The strategy covers a wide spectrum of reactions and (i) even highly sterically hindered C-H bonds can be borylated smoothly, (ii) despite the presence of other potential directing groups, the reaction selectively occurs at the o-C-H bond of the benzaldehyde moiety, and (iii) natural products appended to benzaldehyde derivatives can also give the appropriate borylated products. Moreover, the efficacy of the protocol was confirmed by the fact that the reaction proceeds even in the presence of a series of external impurities.

About 4-Methoxybenzaldehyde, If you have any questions, you can contact Rej, S; Chatani, N or concate me.. Safety of 4-Methoxybenzaldehyde

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

I found the field of Chemistry very interesting. Saw the article Highly E-Selective Synthesis of alpha-Fluoro-beta-arylalkenyl Sulfones from gem-Difluoroalkenes with Sodium Sulfinates published in 2021.0. Category: indole-building-block, Reprint Addresses Shi, DY (corresponding author), Shandong Univ, State Key Lab Microbial Technol, Qingdao 266237, Shandong, Peoples R China.; Shi, DY (corresponding author), Shandong Univ, Marine Biotechnol Res Ctr, Qingdao 266237, Shandong, Peoples R China.; Shi, DY (corresponding author), Pilot Natl Lab Marine Sci & Technol, Lab Marine Biol & Biotechnol, Qingdao 266237, Shandong, Peoples R China.. The CAS is 120-14-9. Through research, I have a further understanding and discovery of 3,4-Dimethoxybenzaldehyde

The straightforward synthesis of alpha-fluoro-beta-arylalkenyl sulfones under transition-metal- and base-free conditions has been described, which displays broad functional group compatibility and high stereoselectivity. In particular, the strategy is also applied to the late-stage modification of complex natural products and drugs.

Category: indole-building-block. About 3,4-Dimethoxybenzaldehyde, If you have any questions, you can contact Li, YX; Li, XQ; Li, XW; Shi, DY or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles