Acetic acid, [[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]thio]- (9CI)

Base Information

• Chemical Name: Acetic acid, [[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]thio]- (9CI)
• CAS No.: 447414-44-0
• Molecular Formula: C13H17 N O4 S
• Molecular Weight: 283.348
• Mol file: 447414-44-0.mol

Synonyms:Aceticacid, [[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]thio]- (9CI);2-[[4-(tert-Butoxycarbonylamino)phenyl]thio]acetic acid

Chemical Property of Acetic acid, [[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]thio]- (9CI)

Chemical Property:

• PSA: 100.93000
• LogP: 3.28330

Purity/Quality:

98%min ^*data from raw suppliers

Boc-(4-aminophenylthio)acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Acetic acid, [[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]thio]- (9CI)

There total 4 articles about Acetic acid, [[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]thio]- (9CI) 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: 94.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-(4-aminophenylthio)acetic acid (104-18-7) → 2-({4-[(tert-butoxycarbonyl)amino]phenyl}thio)acetic acid (447414-44-0)

Guidance literature:

di-tert-butyl dicarbonate; 2-(4-aminophenylthio)acetic acid; With triethylamine; In 1,4-dioxane; water; at 20 ℃; for 24h;

With hydrogenchloride;

DOI:10.1021/ja060595j

Reference yield: 75.0%

carbon dioxide (124-38-9,18923-20-1) + N-(tert-butoxycarbonyl)-4-(methylthio)benzenamine → 2-({4-[(tert-butoxycarbonyl)amino]phenyl}thio)acetic acid (447414-44-0)

Guidance literature:

N-(tert-butoxycarbonyl)-4-(methylthio)benzenamine; With n-butyllithium; potassium tert-butylate; In tetrahydrofuran; hexane; at -75 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; hexane; cooling;

DOI:10.1016/S0040-4020(03)00347-8

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → 2-({4-[(tert-butoxycarbonyl)amino]phenyl}thio)acetic acid (447414-44-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 50 percent / tetrahydrofuran / 60 °C

2.1: potassium tert-butoxide; butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C

2.2: 75 percent / tetrahydrofuran; hexane / cooling

With n-butyllithium; potassium tert-butylate; In tetrahydrofuran; hexane;

DOI:10.1016/S0040-4020(03)00347-8

upstream raw materials:

carbon dioxide

di-tert-butyl dicarbonate

2-(4-aminophenylthio)acetic acid

4-methylsulfanylaniline

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