112968-38-4

Basic information

• Product Name: tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate
• 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-(2-thienyl)perhydro-1,4-thiazepine-4-acetate
• CAS NO: 112968-38-4
• Molecular Formula: C₁₅H₂₂N₂O₃S₂
• Molecular Weight: 342.48
• Mol File: 112968-38-4.mol
• Article Data: 1

Chemical Properties

• Melting Point: 81-82 ºC
• Boiling Point: 525.1 °C at 760 mmHg
• Flash Point: 271.4 °C
• Appearance: /
• Density: 1.224
• Vapor Pressure: 4.04E-11mmHg at 25°C
• Refractive Index: 1.563
• CAS DataBase Reference: tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate(112968-38-4)
• EPA Substance Registry System: tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate(112968-38-4)

Safety Data

• Hazardous Substances Data: 112968-38-4(Hazardous Substances Data)

Usage

General Description

Tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate is a chemical compound that belongs to the thiazepine class. It is a derivative of perhydro-1,4-thiazepine and contains an amino group, a thienyl group, and an acetate group. The compound has a tert-butyl group attached to the amino group and is stereochemically defined by its 2S,6R configuration. This chemical compound may have potential applications in pharmaceuticals, particularly in the development of drugs for neurological or psychiatric disorders due to the presence of the thiazepine moiety, which has been associated with biological activity. Further research and testing are needed to explore the specific properties and potential uses of tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate.

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

Upstream product

• 121740-50-9 [(2R,6R)-5-Oxo-2-thiophen-2-yl-6-(trityl-amino)-[1,4]thiazepan-4-yl]-acetic acid tert-butyl ester 
• 121840-70-8 ((2R,6R)-6-tert-Butoxycarbonylamino-5-oxo-2-thiophen-2-yl-[1,4]thiazepan-4-yl)-acetic acid tert-butyl ester 
• 121740-51-0 [(R)-5-Oxo-2-thiophen-2-yl-6-(trityl-amino)-6,7-dihydro-5H-[1,4]thiazepin-4-yl]-acetic acid tert-butyl ester 
• 121740-49-6 (2R,6R)-2-Thiophen-2-yl-6-(trityl-amino)-[1,4]thiazepan-5-one 
• 121740-52-1 ((2R,6R)-6-tert-Butoxycarbonylamino-1,5-dioxo-2-thiophen-2-yl-1λ⁴-[1,4]thiazepan-4-yl)-acetic acid tert-butyl ester 
• 113955-34-3 ((R)-6-tert-Butoxycarbonylamino-5-oxo-2-thiophen-2-yl-6,7-dihydro-5H-[1,4]thiazepin-4-yl)-acetic acid tert-butyl ester 
• 110221-23-3 ((2R,6R)-5-Oxo-2-thiophen-2-yl-[1,4]thiazepan-6-yl)-carbamic acid tert-butyl ester 
• 110221-27-7 (2R,6R)-6-amino-2-thienylperhydrothiazepin-5-one 
• 24424-99-5 di-tert-butyl dicarbonate 
• 5292-43-3 bromoacetic acid tert-butyl ester 
• 121840-69-5 [(2S,6R)-5-Oxo-2-thiophen-2-yl-6-(trityl-amino)-[1,4]thiazepan-4-yl]-acetic acid tert-butyl ester 
• 121840-71-9 ((2S,6R)-6-tert-Butoxycarbonylamino-5-oxo-2-thiophen-2-yl-[1,4]thiazepan-4-yl)-acetic acid tert-butyl ester 

Downstream Products

• 111902-57-9 temocapril 
• 110221-37-9 (S)-2-((2S,6R)-4-tert-Butoxycarbonylmethyl-5-oxo-2-thiophen-2-yl-[1,4]thiazepan-6-ylamino)-4-phenyl-butyric acid ethyl ester 

Relevant articles and documents

Synthesis of 1,4-Thiazepine Derivatives Having Angiotensin-Converting Enzyme Inhibitory Property

Reduction of (6R)-6-amino-6,7-dihydro-2-thienyl-1,4-thiazepin-5(4H)-one derivatives with Mg-MeOH gave the corresponding perhydrothiazepinones.Protection with trityl group at the 6-amino group gave predominantly the 2S,6R isomer which was converted to the