CAS 1338494-85-1

Methyl 2-[[4-(chlorosulfonyl)butyl]amino]benzoate

Description:

Methyl 2-[[4-(chlorosulfonyl)butyl]amino]benzoate, identified by its CAS number 1338494-85-1, is a chemical compound characterized by its complex structure, which includes a benzoate moiety and a chlorosulfonyl group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its reactivity and potential applications in organic synthesis. The presence of the chlorosulfonyl group suggests that it may participate in electrophilic substitution reactions, making it useful in the synthesis of various derivatives. Additionally, the methyl ester functional group indicates that it can undergo hydrolysis to yield the corresponding carboxylic acid. The compound's solubility and stability can vary depending on the solvent and environmental conditions, which is important for its handling and application in laboratory settings. Overall, Methyl 2-[[4-(chlorosulfonyl)butyl]amino]benzoate is of interest in medicinal chemistry and materials science due to its potential biological activity and utility in the development of new chemical entities.

Formula: C₁₂H₁₆ClNO₄S

InChI: InChI=1S/C12H16ClNO4S/c1-18-12(15)10-6-2-3-7-11(10)14-8-4-5-9-19(13,16)17/h2-3,6-7,14H,4-5,8-9H2,1H3

InChI key: InChIKey=OQRQZIZHFDUDGM-UHFFFAOYSA-N

SMILES: N(CCCCS(Cl)(=O)=O)C1=C(C(OC)=O)C=CC=C1

Synonyms:

• Benzoic acid, 2-[[4-(chlorosulfonyl)butyl]amino]-, methyl ester
• Methyl 2-[[4-(chlorosulfonyl)butyl]amino]benzoate