CAS 76981-88-9

Ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Description:

Ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, with CAS number 76981-88-9, is a chemical compound characterized by its complex structure, which includes a thiophene ring fused with a cycloheptane moiety. This compound features an ethyl ester functional group and an amide linkage, contributing to its potential reactivity and biological activity. The presence of a chloroacetyl group suggests that it may participate in nucleophilic substitution reactions, making it a candidate for further chemical modifications. Its tetrahydro structure indicates that it is a saturated derivative, which may influence its solubility and stability in various solvents. The compound's unique arrangement of functional groups may also impart specific pharmacological properties, making it of interest in medicinal chemistry. Overall, this substance exemplifies the diversity of organic compounds and their potential applications in drug development and synthesis.

Formula: C₁₄H₁₈ClNO₃S

InChI: InChI=1S/C14H18ClNO3S/c1-2-19-14(18)12-9-6-4-3-5-7-10(9)20-13(12)16-11(17)8-15/h2-8H2,1H3,(H,16,17)

InChI key: InChIKey=BPXRKUOHWSBUQS-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C2=C(SC1NC(CCl)=O)CCCCC2

Synonyms:

• Ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
• 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-, ethyl ester
• 2-(2-Chloro-acetylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester
• 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-, ethyl ester

ethyl 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

CAS: 76981-88-9

Formula: C₁₄H₁₈ClNO₃S

Purity: 95.0%

Molecular weight: 315.81

Ref: 10-F365271