1,4-Thiazepane-1,1-dioxide trifluoroacetate

Base Information

• Chemical Name: 1,4-Thiazepane-1,1-dioxide trifluoroacetate
• CAS No.: 756815-81-3
• Molecular Formula: C₅H₁₁NO₂S
• Molecular Weight: 149.214
• Hs Code.: 2934999090
• Mol file: 756815-81-3.mol

Synonyms:1,4-Thiazepane-1,1-dioxide trifluoroacetate;1,4-Thiazepane-1,1-dioxide TFA salt

Chemical Property of 1,4-Thiazepane-1,1-dioxide trifluoroacetate

Chemical Property:

• PSA: 71.62000
• LogP: 1.94180

Purity/Quality:

95% ^*data from raw suppliers

1,4-Thiazepane-1,1-dioxidetrifluoroacetate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,4-Thiazepane-1,1-dioxide trifluoroacetate

There total 2 articles about 1,4-Thiazepane-1,1-dioxide trifluoroacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,1-dioxo-1λ6-perhydro-1,4-thiazepine-4-carboxylic acid tert-butyl ester → 1,4-thiazepane 1,1-dioxide (756815-81-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

tert-butyl 1,4-thiazepane-4-carboxylate (1272667-22-7) → 1,4-thiazepane 1,1-dioxide (756815-81-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 2 h

2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C

With 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid; In dichloromethane;

Reference yield:

1,4-thiazepane 1,1-dioxide (756815-81-3) → (S)-benzyl 4-((1R,3aS,5aR,5bR,7aR,1aS,11bR,13aR,13bR)-3a-((2-(1,1-dioxido-1,4-thiazepan-4-yl)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)-1-(fluoromethyl)cyclohex-3-enecarboxylate

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; 2-picoline borane complex / methanol; water / 20 °C / Inert atmosphere

2: potassium phosphate; potassium iodide / acetonitrile / 17 h / 120 °C / Inert atmosphere; Sealed tube

With potassium phosphate; 2-picoline borane complex; acetic acid; potassium iodide; In methanol; water; acetonitrile;

upstream raw materials:

tert-butyl 1,4-thiazepane-4-carboxylate

Refernces