Day: October 22, 2021

Recently I am researching about CATALYZED OXY-ALKYNYLATION; DIAZO-COMPOUNDS; MULTICOMPONENT REACTIONS; DIAZOCARBONYL COMPOUNDS; COOPERATIVE CATALYSIS; OXONIUM YLIDES; COPPER; ALCOHOLS; CONSTRUCTION; CONDENSATION, Saw an article supported by the Swiss National Science FoundationSwiss National Science Foundation (SNSF)European Commission [200020_182798]; EPFL. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Pisella, G; Gagnebin, A; Waser, J. The CAS is 100-51-6. Through research, I have a further understanding and discovery of Benzyl Alcohol. HPLC of Formula: C7H8O

Multicomponent reactions provide efficient means to access molecular complexity. Herein, we report a copper-catalyzed three-component reaction of diazo compounds, alcohols and ethynyl benziodoxole (EBX) reagents for the synthesis of propargyl ethers. Extensive variations of the three partners of the reaction is possible, leading to highly functionalized and structurally diverse products under mild conditions. Alkynylation of a copper ylide intermediate is postulated as key step for this transformation.

About Benzyl Alcohol, If you have any questions, you can contact Pisella, G; Gagnebin, A; Waser, J or concate me.. Quality Control of Benzyl Alcohol

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 CHEM BIODIVERS published article about EXTRACTS; REGIONS; CONSTITUENTS; COMPONENTS in [Chi, Yunyang; Luo, Liping; Cui, Meng; Hao, Yingbin; Liu, Tao; Huang, Xueyong; Guo, Xiali] Nanchang Univ, Coll Life Sci, Nanchang 330031, Jiangxi, Peoples R China; [Luo, Liping] Nanchang Univ, State Key Lab Food Sci & Technol, Nanchang 330031, Jiangxi, Peoples R China in 2020, Cited 30. The Name is (E)-2-Methylbut-2-enoic acid. Through research, I have a further understanding and discovery of 80-59-1. COA of Formula: C5H8O2

The chemical composition and in vitro antioxidant activity of the essential oil of propolis (EOP) collected from 25 locations in China was investigated. Steam-distillation extraction was used to extract the EOP, and chemical composition was identified by GC/MS. The antioxidant activities of EOP were also measured. The result showed that a total of 406 compounds were detected in EOP. The major compounds of Chinese EOP were cedrol, gamma-eudesmol, benzyl alcohol, phenethyl alcohol, 2-methoxy-4-vinylphenol, 3,4-dimethoxystyrene and guaiol. Principal component analysis revealed the significant correlation between EOP compositions and their origins, and certain correlation was detected between EOP and their color. Linear discriminant analysis showed that 88 % and 84 % of the propolis samples were predicted correctly as the groupings identified by climatic zone and the color, respectively. Furthermore, the differences of antioxidant activities of EOP were significant. EOP of Shandong had the strongest antioxidant activities, whereas EOP of Guangdong, Yunnan and Hunan showed the poorest.

About (E)-2-Methylbut-2-enoic acid, If you have any questions, you can contact Chi, YY; Luo, LP; Cui, M; Hao, YB; Liu, T; Huang, XY; Guo, XL or concate me.. Computed Properties of C5H8O2

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

Recommanded Product: 86-95-3. Authors Chheda, PR; Kummer, DA; Nishimura, RT; McClure, KJ; Venkatesan, H in AMER CHEMICAL SOC published article about in [Kummer, David A.] Lundbeck La Jolla Res Ctr Inc, San Diego, CA 92121 USA; [Chheda, Pratik R.; Nishimura, Rachel T.; McClure, Kelly J.; Venkatesan, Hariharan] Janssen Res & Dev, Discovery Chem, San Diego, CA 92121 USA in 2021, Cited 63. The Name is 4-Hydroxyquinolin-2(1H)-one. Through research, I have a further understanding and discovery of 86-95-3

A one-pot, Hantzsch ester-mediated Knoevenagel condensation-reduction reaction has been developed for alkylation of a wide range of substituted 2,4-quinoline diols and 2,4-pyridine diols with aldehydes. The process is operationally simple to perform, scalable, and provides highly useful C-3 alkylated quinoline and pyridine diols in yields of 58-92%. The alkylation products can be converted to 2,4-dihaloquinoline and pyridine substrates for further functionalization.

Recommanded Product: 86-95-3. About 4-Hydroxyquinolin-2(1H)-one, If you have any questions, you can contact Chheda, PR; Kummer, DA; Nishimura, RT; McClure, KJ; Venkatesan, H 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

Safety of 4-Hydroxyquinolin-2(1H)-one. In 2020 MONATSH CHEM published article about DERIVATIVES; INHIBITORS; FUROQUINOLINE; ALKALOIDS; MODEL in [Aly, Ashraf A.; Mohamed, Asmaa H.] Menia Univ, Fac Sci, Chem Dept, El Minia 61519, Egypt; [Ishak, Esam] Al Azhar Univ, Fac Sci, Dept Chem, Assiut, Egypt; [Ishak, Esam] Jouf Univ, Coll Sci & Arts, Dept Chem, Alquurrayate, Saudi Arabia; [Shwaky, Ahmed M.] Umm Al Qura Univ, STU, Mecca, Saudi Arabia in 2020, Cited 31. The Name is 4-Hydroxyquinolin-2(1H)-one. Through research, I have a further understanding and discovery of 86-95-3.

Quinoline-2,4-diones reacted with 2-[bis(methylthio)methylene]malononitrile in DMF/Et3N to produce 3-(methylthio)-4-oxo-4,5-dihydrofuro[3,2-c]quinolone-2-carbonitriles and 3-(methylthio)-4-oxo-4,5-dihydrofuro[3,2-c]quinolone-2-carboxamides in state of 2-imino-substituted 4-(methylthio)-5,6-dihydro-2H-pyrano[3,2-c]quinolone-3-carbonitriles. The structures of all new products were proved using NMR, IR, and mass spectral data. The possible mechanism for the reaction is also discussed. Graphic abstract

Safety of 4-Hydroxyquinolin-2(1H)-one. About 4-Hydroxyquinolin-2(1H)-one, If you have any questions, you can contact Aly, AA; Ishak, E; Shwaky, AM; Mohamed, AH 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 Lu, K; Zhao, YF; Wu, GD; Hu, H; Wang, MZ; Gong, GW; Jiang, YY in ACADEMIC PRESS INC ELSEVIER SCIENCE published article about HUMAN DIHYDROOROTATE DEHYDROGENASE; DRUG in [Lu, Kuan; Zhao, Yanfang; Wu, Guodong; Hu, Hao; Jiang, Yuyang] Shenyang Pharmaceut Univ, Dept Pharmaceut Engn, Shenyang 110016, Liaoning, Peoples R China; [Lu, Kuan; Wang, Mingzhong] Sherushen Kivita Innovat Drug Discovery Inst, Sherushen 518057, Peoples R China; [Jiang, Yuyang] Tsinghua Univ, Natl & Local United Engn Lab Personalised Antitum, Grad Sch Shenshen, Shenzhen 518055, Peoples R China; [Jiang, Yuyang] Tsinghua Univ, Dept Pharmacol & Pharmaceut Sci, Sch Med, Beijing 100084, Peoples R China; [Gong, Guowei] Zunyi Med Univ, Dept Bioengn, Zhuhai Campus, Zhuhai 519041, Guangdong, Peoples R China in 2019, Cited 17. Formula: C7H5F3O. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

Human dihydroorotate dehydrogenase (hDHODH) is a flavin-dependent enzyme essential to pyrimidine de novo biosynthesis, which serves as an attractive therapeutic target for the treatment of autoimmune disorders. A novel series of hDHODH inhibitors was developed based on a lead which was obtained by a medicinal chemistry exploration. Most compounds showed moderate to significant potency against hDHODH, compounds 5d, 5e, and 6a effectively inhibited the activities of hDHODH with IC50 values from 0.9 to 2.8 mu M. Further studies showed that compound 5e also effectively suppressed proliferation of the activated PBMCs (IC50 = 20.35 mu M). Surprisingly, compound 5e also showed anti-pulmonary fibrotic activity similar to that of pirfenidone in vitro assay. Therefore, compound 5e might have potential to be developed as a novel hDHODH inhibitors for auto-immune diseases therapy.

Formula: C7H5F3O. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Lu, K; Zhao, YF; Wu, GD; Hu, H; Wang, MZ; Gong, GW; Jiang, YY 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

Computed Properties of C7H5F3O. Recently I am researching about MEISENHEIMER COMPLEX-FORMATION; PHENOXIDE ION; SOFT ACIDS; NUCLEOPHILIC-ADDITION; ARYLOXIDE IONS; BASES HSAB; ALKYLATION; CARBON; KINETICS; OXYGEN, Saw an article supported by the Deutsche ForschungsgemeinschaftGerman Research Foundation (DFG) [SFB 749]; Fonds der Chemischen Industrie (Kekule fellowship)Fonds der Chemischen Industrie. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Mayer, RJ; Breugst, M; Hampel, N; Ofial, AR; Mayr, H. The CAS is 98-17-9. Through research, I have a further understanding and discovery of 3-(Trifluoromethyl)phenol

Prompted by the observation that the regioselectivities of phenolate reactions (C versus O attack) are opposite to the predictions by the principle of hard and soft acids and bases, we performed a comprehensive experimental and computational investigation of phenolate reactivities. Rate and equilibrium constants for the reactions of various phenolate ions with benzhydrylium ions (Aryl(2)CH(+)) and structurally related quinone methides have been determined photometrically in polar aprotic solvents. Quantum chemical calculations at the SMD(MeCN)/M06-2X/6-31+G(d,p) level confirmed that O attack is generally favored under kinetically controlled conditions, whereas C attack is favored under thermodynamically controlled conditions. Exceptions are diffusion limited reactions with strong electrophiles, which give mixtures of products arising from O and C attack, as well as reactions with metal alkoxides in nonpolar solvents, where oxygen attack is blocked by strong ion pairing. The Lewis basicity (LB) and nucleophilicity (N, s(N)) parameters of phenolates determined in this work can be used to predict whether their reactions with electrophiles are kinetically or thermodynamically controlled and whether the rates are activation-or diffusion-limited. Comparison of the measured rate constants for the reactions of phenolates with carbocations with the Gibbs energies for single electron transfer manifests that these reactions proceed via polar mechanisms.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Mayer, RJ; Breugst, M; Hampel, N; Ofial, AR; Mayr, H or concate me.. Safety of 3-(Trifluoromethyl)phenol

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 2019.0 ORG BIOMOL CHEM published article about PROCESS WINDOWS; CHEMISTRY; REACTORS; LIQUID; SAFE in [Garcia-Lacuna, Jorge; Dominguez, Gema; Perez-Castells, Javier] Univ San Pablo CEU, Fac Farm, Dept Quim & Bioquim, Madrid 28668, Spain; [Blanco-Urgoiti, Jaime] CSFlowChem SL, C Boadilla Camino 3, Madrid 28050, Spain in 2019.0, Cited 51.0. The Name is 3-Hydroxybenzaldehyde. Through research, I have a further understanding and discovery of 100-83-4. SDS of cas: 100-83-4

A new synthesis of treprostinil is described using a plug flow reactor in two of the key steps. First, a Claisen rearrangement reaction is described in scaled flow at multigram amounts. Yields and selectivity of this step are sharply improved compared to those from previous syntheses. Second, the key Pauson-Khand reaction in flow is described under catalytic conditions with 5 mol% of cobalt carbonyl and only 3 equiv. of CO. Scaling up of this reaction safely ensures a good yield of an advanced intermediate which is transformed into treprostinil in three steps. Other improvements are the introduction of the carboxymethyl chain into the phenol from the beginning to reduce the protection-deprotection steps. The synthesis is completed in 14% global yield after 12 linear steps from (S)-epichlorhydrin.

About 3-Hydroxybenzaldehyde, If you have any questions, you can contact Garcia-Lacuna, J; Dominguez, G; Blanco-Urgoiti, J; Perez-Castells, J or concate me.. Recommanded Product: 3-Hydroxybenzaldehyde

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

Nguyen, VK; Sichaem, J; Nguyen, HH; Nguyen, XH; Huynh, TTL; Nguyen, TP; Niamnont, N; Mac, DH; Pham, DD; Chavasiri, W; Nguyen, KPP; Duong, TH in [Van-Kieu Nguyen; Chavasiri, Warinthorn] Chulalongkorn Univ, Fac Sci, Ctr Excellence Nat Prod Chem, Dept Chem, Bangkok, Thailand; [Sichaem, Jirapast] Thammasat Univ, Fac Sci & Technol, Lampang Campus, Lampang, Thailand; [Huu-Hung Nguyen; Thi-Phuong Nguyen] Nguyen Tat Thanh Univ, Fac Biotechnol & Environm, Ho Chi Minh City, Vietnam; [Xuan Hieu Nguyen; Thi-Thu-Loi Huynh; Duc-Dung Pham] Ho Chi Minh City Univ Educ, Dept Chem, Ho Chi Minh City, Vietnam; [Niamnont, Nakorn] King Mongkuts Univ Technol Thonburi, Fac Sci, Dept Chem, Organ Synth Electrochem & Nat Prod Res Unit, Bangkok, Thailand; [Dinh-Hung Mac] Ha Noi Natl Univ, Univ Sci, Dept Organ Chem, Hanoi, Vietnam; [Kim-Phi-Phung Nguyen] Natl Univ Ho Chi Minh City, Univ Sci, Dept Organ Chem, Ho Chi Minh City, Vietnam; [Thuc-Huy Duong] Ton Duc Thang Univ, Dept Management Sci & Technol Dev, Ho Chi Minh City, Vietnam; [Thuc-Huy Duong] Ton Duc Thang Univ, Fac Appl Sci, Ho Chi Minh City, Vietnam published Synthesis and cytotoxic evaluation of usnic acid benzylidene derivatives as potential anticancer agents in 2021, Cited 13. Safety of 4-Methoxybenzaldehyde. The Name is 4-Methoxybenzaldehyde. Through research, I have a further understanding and discovery of 123-11-5.

A series of usnic acid benzylidene derivatives (groups I-V) were designed, synthesized and evaluated for their anticancer activity in the search for potentially new anticancer agents. Compounds 1a, 5b, 2b, 2e and 2f exhibited the most potent cytotoxcity against K562 cell line with IC50 values of 10.0 +/- 3.6, 5.6 +/- 0.4, 8.8 +/- 1.0, 4.5 +/- 0.1 and 8.4 +/- 0.4 mu M, respectively. It is noteworthy that compound 2e displayed potent cytotoxicity against K562 cells without any cytotoxic effect on HEK293 normal cell line.

Safety of 4-Methoxybenzaldehyde. About 4-Methoxybenzaldehyde, If you have any questions, you can contact Nguyen, VK; Sichaem, J; Nguyen, HH; Nguyen, XH; Huynh, TTL; Nguyen, TP; Niamnont, N; Mac, DH; Pham, DD; Chavasiri, W; Nguyen, KPP; Duong, TH 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

An article Synthesis of the impurity F of salbutamol WOS:000541362600001 published article about SULFATE in [Song, Shu-Lian; Lian, Cheng-Xi; Chen, Li-Ping; Huang, Long-Liang] Qingdao Univ Sci & Technol, Coll Chem Engn, State Key Lab Base Ecochem Engn, Qingdao 266042, Peoples R China in 2020.0, Cited 8.0. The Name is 4′-Hydroxyacetophenone. Through research, I have a further understanding and discovery of 99-93-4. Safety of 4′-Hydroxyacetophenone

First synthesis of the diastereomeric mixture of salbutamol impurity F is described in seven steps by using 4-hydroxyacetophenone as starting material, with 15.2% total yield. The synthesis provides access to multi-gram quantities of impurity F with good purity for reference supplies and further analytical and toxicology investigations. [GRAPHICS] .

About 4′-Hydroxyacetophenone, If you have any questions, you can contact Song, SL; Lian, CX; Chen, LP; Huang, LL or concate me.. COA of Formula: C8H8O2

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′-Hydroxyacetophenone. Recently I am researching about ACTIVATION; RHODIUM; AIR; FUNCTIONALIZATION; DERIVATIVES; BONDS, Saw an article supported by the National NSF of ChinaNational Natural Science Foundation of China (NSFC) [21432005, 21672154, 21871193]; Comprehensive Training Platform of Specialized Laboratory, College of Chemistry, Sichuan University. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Zhang, LQ; Wang, YB; Shi, Y; Wu, YM; Lan, JB; Ma, WX; You, JS. The CAS is 99-93-4. Through research, I have a further understanding and discovery of 4′-Hydroxyacetophenone

An urgent yet challenging task is to overcome the limitations in substrate scope and regio- and chemoselectivity in the oxidative couplings between two arenes for the construction of unsymmetrical 2,2′-difunctional biaryls with diverse application requirements. In this work, a co-oxidant-free Rh(I)/Zn(NTf2)(2)/air catalytic system has been developed for dual chelation-assisted oxidative C-H/C-H cross-couplings between two anilines, between two phenols, and between phenols and anilines, which enables rapid assembly of rich libraries of 2,2′-bianilines, 2,2′-biphenols, and 2′-aminobiphenyl-2-ols. This protocol features air as the sole oxidant, complete regioselectivity, high chemoselectivity, low molar ratio of substrates (even 1:1), convenient operation, and scale-up synthesis. The established catalytic system is tolerant of the substrates having both electron-donating and electron-withdrawing substituents at different positions of the aryl ring. This work further discloses that the chemoselectivity of cross-coupling over homocoupling mainly relies on a suitable combination of two directing groups (i.e., a pair of strongly and weakly coordinating directing groups) rather than the electronically distinct properties between two substrates, which provides an inspiration for designing the matching directing group pair for the dual chelation-assisted oxidative Ar-H/Ar-H cross-couplings. Thus, this strategy allows the highly chemoselective cross-coupling between electronically similar coupling partners, which represents a challenging task in the oxidative Ar-H/Ar-H cross-coupling reactions.

About 4′-Hydroxyacetophenone, If you have any questions, you can contact Zhang, LQ; Wang, YB; Shi, Y; Wu, YM; Lan, JB; Ma, WX; You, JS or concate me.. COA of Formula: C8H8O2

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