N-[2-(Benzoylsulfanyl)propanoyl]glycine

Base Information

• Chemical Name: N-[2-(Benzoylsulfanyl)propanoyl]glycine
• CAS No.: 6183-01-3
• Molecular Formula: C12H13NO4S
• Molecular Weight: 267.306
• European Community (EC) Number: 612-522-1
• DSSTox Substance ID: DTXSID50598341
• Nikkaji Number: J61.589G

Synonyms:6183-01-3;N-[2-(Benzoylsulfanyl)propanoyl]glycine;2-(2-benzoylsulfanylpropanoylamino)acetic acid;Glycine, N-[2-(benzoylthio)-1-oxopropyl]-;n-(2-benzoylmercaptopropanyl)glycine;NIOSH/MC0596900;SCHEMBL10505335;DTXSID50598341;CVAYIPQJWPRFDT-UHFFFAOYSA-N;2-Benzenecarbothiolylpropionylglycine;N-(2-Mercaptopropionyl)glycine thiobenzoate;MC05969000;Glycine, N-(2-mercaptopropionyl)-, thiobenzoate

Chemical Property of N-[2-(Benzoylsulfanyl)propanoyl]glycine

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 267.05652907
• Heavy Atom Count: 18
• Complexity: 326

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NCC(=O)O)SC(=O)C1=CC=CC=C1

Technology Process of N-[2-(Benzoylsulfanyl)propanoyl]glycine

There total 4 articles about N-[2-(Benzoylsulfanyl)propanoyl]glycine 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:

(+/-)-S-benzoyl-2-mercaptopropanoic acid (6183-02-4) → α-Benzoylmercaptopropionylglycin (6183-01-3)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: 2N NaOH / 2 h / Ambient temperature

With sodium hydroxide; thionyl chloride;

DOI:10.1248/cpb.29.63

Reference yield:

S-benzoyl-2-mercaptopropanoyl chloride (67714-29-8) + glycine (56-40-6,18875-39-3,25718-94-9) → α-Benzoylmercaptopropionylglycin (6183-01-3)

Guidance literature:

With sodium hydroxide; for 2h; Ambient temperature;

DOI:10.1248/cpb.29.63

Reference yield:

thiobenzoic acid (98-91-9) + glycine (56-40-6,18875-39-3,25718-94-9) → α-Benzoylmercaptopropionylglycin (6183-01-3)

Guidance literature:

With sodium hydroxide; Yield given. Multistep reaction; 1.) r.t., 4 h; 2.) r.t., overnight;

DOI:10.1248/cpb.29.63

upstream raw materials:

S-benzoyl-2-mercaptopropanoyl chloride

glycine

thiobenzoic acid

(+/-)-S-benzoyl-2-mercaptopropanoic acid

Downstream raw materials:

N-(2-mercaptopropionyl)glycine

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