Compound Q&A
How is [(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride (CAS: 110221-44-8) typically synthesized?
Answer
![[(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride (1:1)](https://static.chemtradehub.com/structs/110/110221-44-8-26e3.webp "[(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride (1:1)")
This compound is typically synthesized via a multi-step procedure involving the reaction of a thiazepane derivative with a phenyl-substituted 2-butylamine. The synthesis involves the use of protecting groups and specific conditions to ensure high selectivity and yield. Commonly used solvents include dichloromethane and acetonitrile.
About
CAS No
110221-44-8
English Name
[(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride (1:1)
Molecular Formula
C23H29ClN2O5S2
Molecular Weight
513.08 g/mol
SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3.Cl
InChIKey
XDDQNOKKZKHBIX-ASBZXGSUSA-N
Last Updated: 2025-09-16 13:49
![[(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride (1:1) — Beijing Huikang Boyuan Pharmaceutical Technology Co., Ltd.](https://static.chemtradehub.com/suppliers/67ce125f57537e5c8069b282/67ce125f57537e5c8069b282-logo.webp){kind=logo}