CAS 329222-97-1

1-Methylethyl 2-amino-4,5,6,7-tetrahydro-6-methylbenzo[b]thiophene-3-carboxylate

Description:

1-Methylethyl 2-amino-4,5,6,7-tetrahydro-6-methylbenzo[b]thiophene-3-carboxylate, with the CAS number 329222-97-1, is a chemical compound that belongs to the class of benzo[b]thiophene derivatives. This substance features a complex structure characterized by a benzo[b]thiophene core, which is a fused bicyclic system containing both benzene and thiophene rings. The presence of a carboxylate group indicates that it can participate in various chemical reactions, potentially acting as a precursor for further synthetic modifications. The amino group suggests that it may exhibit basic properties and could engage in hydrogen bonding, influencing its solubility and reactivity. Additionally, the tetrahydro structure implies that the compound is saturated in certain regions, which may affect its stability and interaction with biological systems. Overall, this compound's unique structural features may confer specific pharmacological properties, making it of interest in medicinal chemistry and drug development. However, detailed studies would be necessary to fully elucidate its biological activity and potential applications.

Formula: C₁₃H₁₉NO₂S

InChI: InChI=1S/C13H19NO2S/c1-7(2)16-13(15)11-9-5-4-8(3)6-10(9)17-12(11)14/h7-8H,4-6,14H2,1-3H3

InChI key: InChIKey=PMEGAOJOWAZQLA-UHFFFAOYSA-N

SMILES: C(OC(C)C)(=O)C=1C2=C(SC1N)CC(C)CC2

Synonyms:

• 1-Methylethyl 2-amino-4,5,6,7-tetrahydro-6-methylbenzo[b]thiophene-3-carboxylate
• Benzo[b]thiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-6-methyl-, 1-methylethyl ester
• 2-Amino-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl ester

Propan-2-yl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS: 329222-97-1

Versatile small molecule scaffold

Formula: C₁₃H₁₉NO₂S

Purity: Min. 95%

Molecular weight: 253.36 g/mol

Ref: 3D-ENA22297