CAS 40180-80-1

1-(3-bromo-4-methylphenyl)ethanone

Description:

1-(3-bromo-4-methylphenyl)ethanone, also known as a substituted acetophenone, is an organic compound characterized by the presence of a bromine atom and a methyl group on a phenyl ring. This compound features a ketone functional group, which contributes to its reactivity and potential applications in organic synthesis. The bromine substituent enhances the electrophilic character of the aromatic ring, making it more reactive towards nucleophiles. The methyl group, located at the para position relative to the bromine, can influence the compound's steric and electronic properties, affecting its reactivity and interactions with other molecules. Typically, such compounds are used in various chemical reactions, including Friedel-Crafts acylation and as intermediates in the synthesis of pharmaceuticals and agrochemicals. Additionally, the presence of halogens like bromine can impart unique properties, such as increased lipophilicity and potential biological activity. Overall, 1-(3-bromo-4-methylphenyl)ethanone is a versatile compound with significant implications in synthetic organic chemistry.

Formula: C₉H₉BrO

InChI: InChI=1/C9H9BrO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3

SMILES: Cc1ccc(cc1Br)C(=O)C

Synonyms:

• Ethanone, 1-(3-Bromo-4-Methylphenyl)-
• 1-(3-Bromo-4-methylphenyl)ethanone
• 3'-BROMO-4'-METHYLACETOPHENONE ISO 9001：2015 REACH
• 1-(3-Bromo-4-methylphenyl)ethan-1-one
• SIPO-022
• 3'-BROMO-4'-METHYLACETOPHENONE
• Fluralaner-004
• 3'-Bromo-4'-methylacetophenone 97%
• Siponimod Impurity 1

3'-Bromo-4'-methylacetophenone

CAS: 40180-80-1

Formula: C₉H₉BrO

Purity: >98.0%(GC)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 213.07

Ref: 3B-B4758

1-(3-Bromo-4-methylphenyl)ethanone

CAS: 40180-80-1

Formula: C₉H₉BrO

Purity: 97%

Color and Shape: Solid

Molecular weight: 213.0712

Ref: IN-DA003ISE

3-Bromo-4-methylacetophenone

CAS: 40180-80-1

3-Bromo-4-methylacetophenone

Purity: 99%

Molecular weight: 213.07g/mol

Ref: 54-OR345335

3'-Bromo-4'-methylacetophenone

CAS: 40180-80-1

3'-Bromo-4'-methylacetophenone is a reactive methyl ester that binds to the receptor in the central nervous system. It has been found to be an effective anti-cancer drug, and also inhibits serotonin release in the brain. 3'-Bromo-4'-methylacetophenone is chiral, meaning it can exist as two different forms, or enantiomers. These two forms have different pharmacological profiles, with one being more potent than the other. 3'-Bromo-4'-methylacetophenone is synthesized from methylamine and acetaldehyde using diethyl ether as a solvent. The reaction product is then hydrolyzed by acetonitrile to produce the final product. This drug is used for the treatment of Parkinson's disease and schizophrenia.

Formula: C₉H₉BrO

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 213.07 g/mol

Ref: 3D-FB34541

1-(3-Bromo-4-methylphenyl)ethanone

CAS: 40180-80-1

Formula: C₉H₉BrO

Purity: 95%

Color and Shape: Solid

Molecular weight: 213.074

Ref: 10-F322008

3'-Bromo-4'-methylacetophenone

Controlled Product

CAS: 40180-80-1

Applications 3'-Bromo-4'-methylacetophenone is used as a starting material in the synthesis of mansonone E which is used to make mansonone E dervivatives. These derivatives are potent inhibitors of topoisomerase II (Topo II) and topoisomerase I (Topo I) and are also potent antitumor agents. 3'-Bromo-4'-methylacetophenone is also used as a reagent in the synthesis of BAF312, Siponimod which has been tested in the treatment of patients suffering from relapsing-remitting multiple sclerosis.
References Fang, X., et al.: J. Chem. Res., 38, 137 (2014); Huang, Z., et al.: Eur. J. Med. Chem., 68, 58 (2013); Pan, S., et al.: ACS Med. Chem. Lett., 4, 333 (2013)

Formula: C₉H₉BrO

Color and Shape: Neat

Molecular weight: 213.07

Ref: TR-B688280