CAS 112968-38-4

tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate

Description:

Tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate, with CAS number 112968-38-4, is a chemical compound characterized by its complex bicyclic structure that includes a thiazepine ring. This compound features a tert-butyl group, which contributes to its hydrophobic properties, and an amino group that can participate in hydrogen bonding, enhancing its solubility in polar solvents. The presence of a thienyl substituent introduces aromatic characteristics, potentially influencing its reactivity and biological activity. The acetate functional group suggests that it may undergo hydrolysis, releasing acetic acid under certain conditions. This compound's stereochemistry, indicated by the (2S,6R) configuration, is crucial for its biological interactions, as stereoisomers can exhibit significantly different pharmacological profiles. Overall, the unique combination of functional groups and stereochemistry makes this compound of interest in medicinal chemistry and drug development, particularly for its potential therapeutic applications.

Formula: C₁₅H₂₂N₂O₃S₂

InChI: InChI=1/C15H22N2O3S2/c1-15(2,3)20-13(18)8-17-7-12(11-5-4-6-21-11)22-9-10(16)14(17)19/h4-6,10,12H,7-9,16H2,1-3H3/t10-,12-/m0/s1

SMILES: CC(C)(C)OC(=O)CN1C[C@@H](c2cccs2)SC[C@@H](C1=O)N

Synonyms:

• Tert-butyl(2S,6R)-6-amino-5-oxo-(2-Thienyl) perhydro-1,4-Thiazepine-4-acetate
• (2S-trans)-6-Aminotetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid 1,1-dimethylethyl ester
• tert-butyl [(2S,6R)-6-amino-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetate