CAS 130047-14-2

BENZOIC ACID, 4-[(CHLOROSULFONYL)METHYL]-, METHYL ESTER

Description:

Benzoic acid, 4-[(chlorosulfonyl)methyl]-, methyl ester, with CAS number 130047-14-2, is an organic compound characterized by its benzoic acid core modified with a chlorosulfonyl group and a methyl ester functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is known for its reactivity due to the presence of the chlorosulfonyl group, which can participate in various chemical reactions, including nucleophilic substitutions. The methyl ester functionality contributes to its solubility in organic solvents and may influence its reactivity in esterification and hydrolysis reactions. Additionally, this compound may exhibit biological activity, making it of interest in pharmaceutical and agrochemical applications. Safety considerations are important, as chlorosulfonyl compounds can be hazardous, necessitating proper handling and storage protocols. Overall, this compound's unique structure and functional groups make it a valuable substance in synthetic organic chemistry.

Formula: C₉H₉ClO₄S

InChI: InChI=1/C9H9ClO4S/c1-14-9(11)8-4-2-7(3-5-8)6-15(10,12)13/h2-5H,6H2,1H3

SMILES: COC(=O)c1ccc(cc1)CS(=O)(=O)Cl

Synonyms:

• Methyl 4-[(chlorosulfonyl)methyl]benzoate
• [4-(Methoxycarbonyl)phenyl]methanesulphonyl chloride
• [4-(Methoxycarbonyl)phenyl]methanesulphonyl chloride 95%
• Methyl 4-[(chlorosulphonyl)methyl]benzoate

Methyl 4-[(chlorosulfonyl)methyl]benzoate

CAS: 130047-14-2

Formula: C₉H₉ClO₄S

Purity: 98%

Color and Shape: Solid

Molecular weight: 248.6834

Ref: IN-DA000TXK

Methyl 4-[(chlorosulphonyl)methyl]benzoate

CAS: 130047-14-2

Methyl 4-[(chlorosulphonyl)methyl]benzoate

Formula: C₉H₉ClO₄S

Purity: ≥95%

Color and Shape: white crystalline powder

Molecular weight: 248.68g/mol

Ref: 54-OR6079

Methyl 4-((chlorosulfonyl)methyl)benzoate

CAS: 130047-14-2

Purity: 98%

Color and Shape: Solid

Molecular weight: 248.6799927

Ref: 10-F626633

methyl 4-[(chlorosulfonyl)methyl]benzoate

CAS: 130047-14-2

Methyl 4-[(chlorosulfonyl)methyl]benzoate is a potent and selective inhibitor of nuclear receptors that are involved in the inflammatory response. It has been shown to inhibit tumor cell proliferation in a xenograft model. Methyl 4-[(chlorosulfonyl)methyl]benzoate inhibits the activity of nuclear receptors by binding to an allosteric site on their ligand-binding domain and preventing coactivator binding. This leads to reduced transcriptional activation, which inhibits the production of proinflammatory molecules. Methyl 4-[(chlorosulfonyl)methyl]benzoate is orally bioavailable and has been shown to have anti-tumor effects in mice with neuroblastoma tumors.

Formula: C₉H₉ClO₄S

Purity: Min. 95%

Molecular weight: 248.7 g/mol

Ref: 3D-FFA04714