methyl 2-(3-oxo-1,2-benzisothiazol-3(2H)-2-yl)-4-phenylbutanoic acetate

Base Information

• Chemical Name: methyl 2-(3-oxo-1,2-benzisothiazol-3(2H)-2-yl)-4-phenylbutanoic acetate
• CAS No.: 1416276-17-9
• Molecular Formula: C₁₈H₁₇NO₃S
• Molecular Weight: 327.404
• Mol file: 1416276-17-9.mol

Synonyms:methyl 2-(3-oxo-1,2-benzisothiazol-3(2H)-2-yl)-4-phenylbutanoic acetate

Chemical Property of methyl 2-(3-oxo-1,2-benzisothiazol-3(2H)-2-yl)-4-phenylbutanoic acetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 2-(3-oxo-1,2-benzisothiazol-3(2H)-2-yl)-4-phenylbutanoic acetate

There total 2 articles about methyl 2-(3-oxo-1,2-benzisothiazol-3(2H)-2-yl)-4-phenylbutanoic acetate 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: 90.0%

2,2'-dithiodibenzoyl bis-benzylalanine methyl ester (1416276-14-6) → methyl 2-(3-oxo-1,2-benzisothiazol-3(2H)-2-yl)-4-phenylbutanoic acetate (1416276-17-9)

Guidance literature:

With bromine; triethylamine; In dichloromethane; for 0.583333h;

DOI:10.1016/j.bmc.2012.10.058

Reference yield:

2,2'-dithiobenzoic acid (119-80-2) → methyl 2-(3-oxo-1,2-benzisothiazol-3(2H)-2-yl)-4-phenylbutanoic acetate (1416276-17-9)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / tetrahydrofuran; N,N-dimethyl-formamide / 0.67 h / 20 °C / Reflux

2: triethylamine / 20 °C

3: triethylamine; bromine / dichloromethane / 0.58 h

With bromine; triethylamine; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2012.10.058

Reference yield: 80.0%

methyl 2-(3-oxo-1,2-benzisothiazol-3(2H)-2-yl)-4-phenylbutanoic acetate (1416276-17-9) → 2-(3-oxo-1,2-benzisothiazol-3(2H)-2-yl)-4-phenylbutanoic acid (1416276-19-1)

Guidance literature:

With lithium hydroxide; In 1,4-dioxane; at 0 ℃; for 1h;

DOI:10.1016/j.bmc.2012.10.058

upstream raw materials:

2,2'-dithiobenzoic acid

2,2'-dithiodibenzoyl bis-benzylalanine methyl ester

Downstream raw materials:

2-(3-oxo-1,2-benzisothiazol-3(2H)-2-yl)-4-phenylbutanoic acid