Ethanethioic acid, S-[3-[methyl(2-sulfoethyl)amino]-3-oxo-2-(phenylmethyl)propyl] ester, sodium salt

Base Information

• Chemical Name: Ethanethioic acid, S-[3-[methyl(2-sulfoethyl)amino]-3-oxo-2-(phenylmethyl)propyl] ester, sodium salt
• CAS No.: 116111-78-5
• Molecular Formula: C15H21NO5S2.Na
• Molecular Weight: 381.449
• Mol file: 116111-78-5.mol

Synonyms:

Chemical Property of Ethanethioic acid, S-[3-[methyl(2-sulfoethyl)amino]-3-oxo-2-(phenylmethyl)propyl] ester, sodium salt

Chemical Property:

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethanethioic acid, S-[3-[methyl(2-sulfoethyl)amino]-3-oxo-2-(phenylmethyl)propyl] ester, sodium salt

There total 3 articles about Ethanethioic acid, S-[3-[methyl(2-sulfoethyl)amino]-3-oxo-2-(phenylmethyl)propyl] ester, sodium salt 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-Benzyl-2-propenoic acid (5669-19-2) → Sodium; 2-[(2-acetylsulfanylmethyl-3-phenyl-propionyl)-methyl-amino]-ethanesulfonate (116111-78-5)

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:

3-acetylthio-2-benzylpropanoic acid (91702-98-6,80969-99-9) → Sodium; 2-[(2-acetylsulfanylmethyl-3-phenyl-propionyl)-methyl-amino]-ethanesulfonate (116111-78-5)

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:

N-Methyltaurine (107-68-6) + 2-acetylthiomethyl-3-phenyl-propionyl chloride (65444-05-5) → Sodium; 2-[(2-acetylsulfanylmethyl-3-phenyl-propionyl)-methyl-amino]-ethanesulfonate (116111-78-5)

Guidance literature:

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

DOI:10.1021/jm00081a024

upstream raw materials:

N-Methyltaurine

2-acetylthiomethyl-3-phenyl-propionyl chloride

2-Benzyl-2-propenoic acid

3-acetylthio-2-benzylpropanoic acid

Downstream raw materials:

Sodium; 2-[(2-mercaptomethyl-3-phenyl-propionyl)-methyl-amino]-ethanesulfonate

Refernces