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4-Methylthio-alpha-bromoacetophenone, with the chemical formula C10H9BrOS, is a crystalline solid that serves as a building block in various organic synthesis processes and pharmaceutical research. This chemical compound is characterized by its strong odor and is classified as a hazardous substance due to its potential toxicity and reactivity properties, necessitating careful handling and storage.

42445-46-5

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42445-46-5 Usage

Uses

Used in Organic Synthesis:
4-Methylthio-alpha-bromoacetophenone is used as a key intermediate in the synthesis of complex organic molecules, contributing to the development of new compounds with diverse applications in various industries.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 4-Methylthio-alpha-bromoacetophenone is utilized as a building block for the creation of novel drug candidates. Its unique structure allows researchers to explore its potential in the development of new therapeutic agents.
Used in Chemical Research:
4-Methylthio-alpha-bromoacetophenone is employed in chemical research to study its reactivity and properties, which can lead to a better understanding of its behavior in various chemical reactions and potential applications in different fields.

Check Digit Verification of cas no

The CAS Registry Mumber 42445-46-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,2,4,4 and 5 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 42445-46:
(7*4)+(6*2)+(5*4)+(4*4)+(3*5)+(2*4)+(1*6)=105
105 % 10 = 5
So 42445-46-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H9BrOS/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3

42445-46-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-bromo-1-(4-methylsulfanylphenyl)ethanone

1.2 Other means of identification

Product number -
Other names 4-methylthio-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:42445-46-5 SDS

42445-46-5Relevant articles and documents

Synthesis and Anti-Tobacco Mosaic Virus/Fungicidal/Insecticidal/Antitumor Bioactivities of Natural Product Hemigossypol and Its Derivatives

Li, Ling,Zou, Jiyong,Xu, Changjiang,You, Shengyong,Li, Yongqiang,Wang, Qingmin

, p. 1224 - 1233 (2021/02/06)

To further study the structure-activity relationship of gossypol, hemigossypol (1) and its derivatives (2-23) were successfully designed via structure simplification and chemically synthesized. The anti-tobacco mosaic virus (TMV), fungicidal, and insectic

A shan tiefen derivative and its synthetic method and application in pesticide

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Paragraph 0087-0090, (2019/07/08)

The invention relates to a shan tiefen derivative and its synthetic method and in pesticide application, especially in the application of the pesticide in the fungicide, which belongs to the technical field of agricultural chemicals. The invention solves the technical problem is to provide a new shan tiefen derivative and its synthetic method and in pesticide application, the structure of this compound is shown as formula I. This compound the structure is simple, novel, easy to synthesize, at the same time having fungicidal activity, the tomato alteso, zones all of tomato, cucumber wilt disease, magnaporthe grisea, galenical such important plant pathogenic fungi, have better bacteriostatic or bactericidal effect.

Synthesis and antifungal activity of carvacrol and thymol esters with heteroaromatic carboxylic acids

Fan, Liming,Jiang, Shanshan,Su, Fawu,Wang, Kaibo,Yang, Yunhai,Ye, Min

, p. 1924 - 1930 (2018/06/11)

Aiming to obtain the more effective pathogen inhibitive ingredients and explore the influence of introducing different heterocyclic units to carvacrol and thymol esters, twenty ester derivatives with different heterocyclic units were synthesized. And the

Water-controlled selective preparation of α-mono or α,α′-dihalo ketones: Via catalytic cascade reaction of unactivated alkynes with 1,3-dihalo-5,5-dimethylhydantoin

Wu, Chao,Xin, Xiu,Fu, Zhi-Min,Xie, Long-Yong,Liu, Kai-Jian,Wang, Zheng,Li, Wenyi,Yuan, Zhi-Hui,He, Wei-Min

, p. 1983 - 1989 (2017/06/09)

The control of a reaction that can produce multiple products from the same starting material is a highly attractive and challenging concept in organic synthesis. An efficient protocol for the selective synthesis of α-mono or α,α′-dihalo ketones via a water-controlled three-component thiourea-catalyzed cascade reaction of unactivated alkynes, 1,3-dihalo-5,5-dimethylhydantoin and water has been developed. α-Monohaloketones were obtained in aqueous acetone at 45 °C; conversely, α,α′-dihalo ketones were formed with pure water as the sole solvent at room temperature.

2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS

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Paragraph 0146, (2016/12/22)

The present disclosure provides phenolic compounds useful in the treatment of neurological conditions such as convulsions and tremors, having the structure of Formula (I): wherein R2, R4, R5, and R6, are as defined in the detailed description; pharmaceutical compositions comprising at least one of the compounds; and methods for treating neurological conditions.

Hemigossypol derivative, vergosin derivative, preparation of hemigossypol derivative and vergosin derivative and application to pesticides

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Paragraph 0084-0086, (2018/02/04)

The invention relates to a hemigossypol derivative, a vergosin derivative, preparation of the hemigossypol derivative and the vergosin derivative and application to preventing plant viruses, killing bacteria and killing insects. Meaning of groups in the f

2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS

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Paragraph 0184, (2015/06/03)

The present disclosure provides phenolic compounds useful in the treatment of neurological conditions such as convulsions and tremors, having the structure of Formula (I): wherein R2, R4, and R5, are as defined in the detailed description; pharmaceutical compositions comprising at least one of the compounds; and methods for treating neurological conditions.

Identification and structure-activity relationship study of carvacrol derivatives as Mycobacterium tuberculosis chorismate mutase inhibitors

Alokam, Reshma,Jeankumar, Variam Ullas,Sridevi, Jonnalagadda Padma,Matikonda, Siddharth Sai,Peddi, Santosh,Alvala, Mallika,Yogeeswari, Perumal,Sriram, Dharmarajan

, p. 547 - 554 (2014/08/05)

In the present study, we identified carvacrol, a major phenolic component of oregano oil as a novel small molecule inhibitor of Mycobacterium tuberculosis (MTB) chorismate mutase (CM) enzyme with IC50 of 1.06±0.4μM. Virtual screening of the BITS-Pilani in-house database using the crystal structure of the MTB CM bound transition state intermediate (PDB: 2FP2) as framework identified carvacrol as a potential lead. Further various carvacrol derivatives were evaluated in vitro for their ability to inhibit MTB CM enzyme, whole cell MTB and cytotoxicity as steps toward the derivation of structure-activity relationships (SAR) and lead optimization.

Highly active chiral ruthenium catalysts for asymmetric cross- and ring-opening cross-metathesis

Berlin, Jacob M.,Goldberg, Steven D.,Grubbs, Robert H.

, p. 7591 - 7595 (2008/02/01)

Metathesis takes sides: The scope of asymmetric metathesis has been expanded with the use of chiral ruthenium catalysts for asymmetric ring-opening cross-metathesis and for the first example of an asymmetric cross-metathesis (see scheme, TIPS = triisoprop

Isomeric acetoxy analogues of rofecoxib: A novel class of highly potent and selective cyclooxygenase-2 inhibitors

Abdur Rahim,Praveen Rao,Knaus, Edward E

, p. 2753 - 2756 (2007/10/03)

A group of isomers possessing a 2-, 3-, or 4-acetoxy moiety on the 3-phenyl substituent of rofecoxib were synthesized that exhibit highly potent, and selective, COX-2 inhibitory activity that have the potential to acetylate the COX-2 isozyme.

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