Thioacetic acid S-[3-(4-nitro-phenyl)-2-(4-sulfo-phenylcarbamoyl)-propyl] ester

Base Information

• Chemical Name: Thioacetic acid S-[3-(4-nitro-phenyl)-2-(4-sulfo-phenylcarbamoyl)-propyl] ester
• CAS No.: 138063-17-9
• Molecular Formula: C₁₈H₁₈N₂O₇S₂
• Molecular Weight: 438.482
• Mol file: 138063-17-9.mol

Synonyms:Thioacetic acid S-[3-(4-nitro-phenyl)-2-(4-sulfo-phenylcarbamoyl)-propyl] ester

Chemical Property of Thioacetic acid S-[3-(4-nitro-phenyl)-2-(4-sulfo-phenylcarbamoyl)-propyl] ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Thioacetic acid S-[3-(4-nitro-phenyl)-2-(4-sulfo-phenylcarbamoyl)-propyl] ester

There total 3 articles about Thioacetic acid S-[3-(4-nitro-phenyl)-2-(4-sulfo-phenylcarbamoyl)-propyl] ester 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:

2-(4-nitro-benzyl)-acrylic acid (82154-11-8) → Thioacetic acid S-[3-(4-nitro-phenyl)-2-(4-sulfo-phenylcarbamoyl)-propyl] ester (138063-17-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 1 h / 80 °C

2: SOCl₂ / CHCl₃; dimethylformamide / 0.5 h / Heating

3: aq. NaOH / tetrahydrofuran / 0.5 h / Ambient temperature

With sodium hydroxide; thionyl chloride; In tetrahydrofuran; chloroform; N,N-dimethyl-formamide;

DOI:10.1021/jm00081a024

Reference yield:

2-Acetylsulfanylmethyl-3-(4-nitro-phenyl)-propionic acid (82154-12-9) → Thioacetic acid S-[3-(4-nitro-phenyl)-2-(4-sulfo-phenylcarbamoyl)-propyl] ester (138063-17-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / CHCl₃; dimethylformamide / 0.5 h / Heating

2: aq. NaOH / tetrahydrofuran / 0.5 h / Ambient temperature

With sodium hydroxide; thionyl chloride; In tetrahydrofuran; chloroform; N,N-dimethyl-formamide;

DOI:10.1021/jm00081a024

Reference yield:

Thioacetic acid S-[2-chlorocarbonyl-3-(4-nitro-phenyl)-propyl] ester + 4-aminobenzene sulfonic acid (121-57-3,856062-06-1) → Thioacetic acid S-[3-(4-nitro-phenyl)-2-(4-sulfo-phenylcarbamoyl)-propyl] ester (138063-17-9)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; for 0.5h; Yield given; Ambient temperature;

DOI:10.1021/jm00081a024

upstream raw materials:

4-aminobenzene sulfonic acid

2-(4-nitro-benzyl)-acrylic acid

2-Acetylsulfanylmethyl-3-(4-nitro-phenyl)-propionic acid

Downstream raw materials:

Sodium; 4-[2-mercaptomethyl-3-(4-nitro-phenyl)-propionylamino]-benzenesulfonate