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2-bromo-1-(4-hydroxy-3-methoxyphenyl)ethanone is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

69638-06-8

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69638-06-8 Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 68, p. 1913, 1946 DOI: 10.1021/ja01214a013

Check Digit Verification of cas no

The CAS Registry Mumber 69638-06-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,9,6,3 and 8 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 69638-06:
(7*6)+(6*9)+(5*6)+(4*3)+(3*8)+(2*0)+(1*6)=168
168 % 10 = 8
So 69638-06-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H9BrO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,11H,5H2,1H3

69638-06-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Bromo-1-(4-hydroxy-3-methoxyphenyl)ethanone

1.2 Other means of identification

Product number -
Other names 4'-hydroxy-3'-methoxy-2-bromoacetophenone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:69638-06-8 SDS

69638-06-8Relevant academic research and scientific papers

Nucleus-independent chemical shift (NICS) as a criterion for the design of new antifungal benzofuranones

González-Chávez, Marco Martín,González-Chávez, Rodolfo,Méndez, Francisco,Martínez, Roberto,Ni?o-Moreno, Perla Del Carmen,Ojeda-Fuentes, Luis Enrique,Richaud, Arlette,Zerme?o-Macías, María de los ángeles

, (2021/08/30)

The assertion made by Wu et al. that aromaticity may have considerable implications for molecular design motivated us to use nucleus-independent chemical shifts (NICS) as an aromaticity criterion to evaluate the antifungal activity of two series of indol-4-ones. A linear regression analysis of NICS and antifungal activity showed that both tested variables were significantly related (p –1 for Candida glabrata, Candida krusei and Candida guilliermondii with compounds 15-32, 15-15 and 15-1. The MIC for filamentous fungi was 1.95 μg·mL–1 for Aspergillus niger for compounds 15-1, 15-33 and 15-34. The results obtained support the use of NICS in the molecular design of compounds with antifungal activity.

Benzo[d]thiazole-2-thiol bearing 2-oxo-2-substituted-phenylethan-1-yl as potent selectivelasBquorum sensing inhibitors of Gram-negative bacteria

Quoc, Thang Nguyen,Thanh, Tung Truong,Xuan, Huy Luong

, p. 28797 - 28808 (2021/09/22)

Quorum sensing is a well-known term for describing bacterial cell-cell communication. Bacteria use quorum sensing pathways to respond to external factors such as nutrient availability, defense mechanisms, and coordinate host toxic behaviors such as biofilm formation, virulence production, and other pathogenesis. Discovery of novel compounds which inhibit quorum sensing without being antibiotic are currently emerging fields. Herein, the library of fifteen benzo[d]thiazole/quinoline-2-thiol bearing 2-oxo-2-substituted-phenylethan-1-yl compounds was designed, synthesized and evaluated to find novel quorum sensing inhibitors. Firstly, compounds were evaluated for their growth inhibitory activities at high concentrations up to 1000 μg mL?1towardPseudomonas aeruginosa. Under our conditions, twelve compounds showed moderate growth inhibitory activities in the concentration tested. To our delight, three compounds3,6and7do not affect the growth of the bacteria which were chosen for the evaluation of quorum sensing inhibitor activities. In theLasBsystem, our compounds3,6,7showed promising quorum-sensing inhibitors with IC50of 115.2 μg mL?1, 182.2 μg mL?1and 45.5 μg mL?1, respectively. In thePqsRsystem, no activity observed suggesting that the selectivity of the compound toward theLasBsystem. In addition,7showed the moderate anti-biofilm formation ofPseudomonas aeruginosa. Docking studies revealed that3,6and7binding to the active site ofPseudomonas aeruginosaquorum sensingLasRsystem with better affinity compared to reference compounds4-NPO. Finally, computation calculations suggest that compounds are a good template for further drug development.

Synthesis and preliminary photopolymerization evaluation of novel photoinitiators containing phototrigger to overcome oxygen inhibition in the UV- curing system

Chen, Wenbin,Wang, Lei,Liu, Xinyue,Chen, Bo,Zhao, Guofeng

, (2019/11/26)

In this work, two types of novel photoinitiaors containing phototrigger were prepared to overcome oxygen inhibition in the UV- curing system in the absence of hydrogen donor. The structures of prepared novel photoinitiators were determined by nuclear magnetic resonance (NMR) and high resolution MS (HR[sbnd]MS) spectra data. The photo chemical behavior and photo-reactivity were also evaluated by ultraviolet-visible (UV–vis) spectroscopy and real-time Fourier transform infrared spectroscopy (RT-FTIR), respectively. The results show the prepared photoinitiators exhibit remarkable redshift compared to the commercial BP (benzophenone) and Irgacure 907 (2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one), fast photolysis by C[sbnd]S bond, good photo initiation and significant overcoming oxygen inhibition for some compounds, which can be used as one-component photoinitiator candidates.

Synthesis and evaluations of novel apocynin derivatives as anti-glioma agents

Yang, Tao,Zang, Da-Wei,Shan, Wei,Guo, An-Chen,Wu, Jian-Ping,Wang, Yong-Jun,Wang, Qun

, (2019/10/11)

Apocynin (4-hydroxy-3-methoxyacetophenone) is a natural polyphenolic compound with multiple biological activities. In the present study, a series of apocynin derivatives were designed and synthesized. The in silico ADMET prediction, blood-brain barrier (B

A medicine for treating diseases of the nervous system of the new compound

-

Paragraph 0067; 0069; 0070, (2019/11/04)

The invention belongs to the technical fields of medicines, and relates to compounds having a structure represented as a formula I and pharmaceutically acceptable salts of the compounds, wherein the R1 and R2 are selected from a group consisting of hydrog

A medicine for treating diseases of the nervous system of the new compound (by machine translation)

-

Paragraph 0065-0068, (2018/03/26)

The invention belongs to the technical field of medicine, the compounds of the formula I structure and its pharmaceutically acceptable salt, Wherein R1, R2 is hydrogen, halogen; R3 is hydrogen, alkyl, benzyl, phenethyl. The invention also relates to the

New compound used for treating neurological disease

-

Paragraph 0050; 0052-0053, (2018/04/02)

The invention belongs to the technical field of a medicine, and relates to a compound having a structure as the formula I shown in the description and pharmaceutically acceptable salt of the compound.In the formula I, R1 and R2 are hydrogen and halogen. T

LEGO-Inspired Drug Design: Unveiling a Class of Benzo[d]thiazoles Containing a 3,4-Dihydroxyphenyl Moiety as Plasma Membrane H+-ATPase Inhibitors

Tung, Truong-Thanh,Dao, Trong T.,Junyent, Marta G.,Palmgren, Michael,Günther-Pomorski, Thomas,Fuglsang, Anja T.,Christensen, S?ren B.,Nielsen, John

, p. 37 - 47 (2018/01/12)

The fungal plasma membrane H+-ATPase (Pma1p) is a potential target for the discovery of new antifungal agents. Surprisingly, no structure–activity relationship studies for small molecules targeting Pma1p have been reported. Herein, we disclose a LEGO-inspired fragment assembly strategy for the design, synthesis, and discovery of benzo[d]thiazoles containing a 3,4-dihydroxyphenyl moiety as potential Pma1p inhibitors. A series of 2-(benzo[d]thiazol-2-ylthio)-1-(3,4-dihydroxyphenyl)ethanones was found to inhibit Pma1p, with the most potent IC50 value of 8 μm in an in vitro plasma membrane H+-ATPase assay. These compounds were also found to strongly inhibit the action of proton pumping when Pma1p was reconstituted into liposomes. 1-(3,4-Dihydroxyphenyl)-2-((6-(trifluoromethyl)benzo[d]thiazol-2-yl)thio)ethan-1-one (compound 38) showed inhibitory activities on the growth of Candida albicans and Saccharomyces cerevisiae, which could be correlated and substantiated with the ability to inhibit Pma1p in vitro.

Method for synthesizing guaiacyl glycerol-beta-guaiacyl ether from lignin beta-O-4 linkage dimer model compound

-

Paragraph 0056-0059; 0071-0074; 0086-0089, (2017/08/25)

The invention provides a method for synthesizing guaiacyl glycerol-beta-guaiacyl ether from a lignin beta-O-4 linkage dimer model compound. The content of beta-O-4 linkages in all linkages of lignin is highest and about 40-60%, so research of the beta-O-4 linkage lignin model compound plays an important role in research of the structure of lignin and the reaction mechanism of lignin in reaction. The method is simple, reaction conditions are mild, the yield is high, and the production period is short.

Synthesis and in-vitro evaluation of 2-amino-4-arylthiazole as inhibitor of 3D polymerase against foot-and-mouth disease (FMD)

Jeong, Kwi-Wan,Lee, Jung-Hun,Park, Sun-Mi,Choi, Joo-Hyung,Jeong, Dae-Youn,Choi, Dong-Hwa,Nam, Yeonju,Park, Jong-Hyeon,Lee, Kwang-Nyeong,Kim, Su-Mi,Ku, Jin-Mo

, p. 387 - 397 (2015/09/01)

Foot-and-mouth disease (FMD) is a highly contagious vesicular disease of livestock caused by a highly variable RNA virus, foot-and-mouth disease virus (FMDV). One of the targets to suppress expansion of and to control FMD is 3D polymerase (FMDV 3Dpol). In this study, 2-amino-4-arylthiazole derivatives were synthesized and evaluated for their inhibitory activity against FMDV 3Dpol. Among them, compound 20i exhibited the most potent functional inhibition (IC50 = 0.39μM) of FMDV 3D polymerase and compound 24a (EC50=13.09 μM) showed more potent antiviral activity than ribavirin (EC50=1367 μM) and T1105 (EC50=347 μM) with IBRS-2 cells infected by the FMDV O/SKR/2010 strain.

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