N-[2-[(Acetylthio)methyl]-1-oxo-3-phenylpropyl]glycine Methyl Ester

Base Information

• Chemical Name: N-[2-[(Acetylthio)methyl]-1-oxo-3-phenylpropyl]glycine Methyl Ester
• CAS No.: 81110-05-6
• Molecular Formula: C₁₅H₁₉NO₄S
• Molecular Weight: 309.386
• Mol file: 81110-05-6.mol

Synonyms:Methyl N-[3-(acetylsulfanyl)-2-benzylpropanoyl]glycinate;N-[2-[(Acetylthio)methyl]-1-oxo-3-phenylpropyl]glycine methyl ester;

Chemical Property of N-[2-[(Acetylthio)methyl]-1-oxo-3-phenylpropyl]glycine Methyl Ester

Chemical Property:

• Vapor Pressure: 1.22E-09mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 487.1 °C at 760 mmHg
• Flash Point: 248.4 °C
• PSA: 97.77000
• Density: 1.195 g/cm³
• LogP: 1.80510
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

N-[2-[(Acetylthio)methyl]-1-oxo-3-phenylpropyl]glycineMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediate for the synthesis of Thiorphan

Technology Process of N-[2-[(Acetylthio)methyl]-1-oxo-3-phenylpropyl]glycine Methyl Ester

There total 3 articles about N-[2-[(Acetylthio)methyl]-1-oxo-3-phenylpropyl]glycine Methyl 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: 62.0%

→ N-[S-Acetyl-2'-benzyl-3'-mercaptopropionyl]glycine methyl ester (81110-05-6)

Guidance literature:

Reference yield:

2-Benzyl-2-propenoic acid (5669-19-2) → C15H19NO4S (124815-66-3,81110-05-6)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / Reflux

2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine / dichloromethane

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.1021/jm500602h

Reference yield:

glycine ethyl ester hydrochloride (5680-79-5,883886-67-7) + 3-acetylthio-2-benzylpropanoic acid (91702-98-6,80969-99-9) → C15H19NO4S (124815-66-3,81110-05-6)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.1021/jm500602h

upstream raw materials:

glycine ethyl ester hydrochloride

3-acetylthio-2-benzylpropanoic acid

2-Benzyl-2-propenoic acid

Downstream raw materials:

(+)-Thiorphan