1-(3-Mercapto-1-oxopropyl)-L-proline

Base Information

• Chemical Name: 1-(3-Mercapto-1-oxopropyl)-L-proline
• CAS No.: 63250-31-7
• Molecular Formula: C₈H₁₃NO₃S
• Molecular Weight: 203.262
• DSSTox Substance ID: DTXSID101289939
• Nikkaji Number: J642.575E
• Wikidata: Q76009754
• Pharos Ligand ID: TQ8CZWAMTBDK
• ChEMBL ID: CHEMBL10962

Synonyms:1-(3-Mercapto-1-oxopropyl)-L-proline;63250-31-7;L-Proline, 1-(3-mercapto-1-oxopropyl)-;3-mercaptopropanoyl-L-proline;CHEMBL10962;1-(3-mercaptopropanoyl)-L-proline;3-mercaptopropanoyl-l-pro;1-(3-Mercapto-propionyl)-pyrrolidine-2-carboxylic acid;SCHEMBL683432;1-(3-Mercaptopropionyl)proline;C20H23NO4.C6H8O7;DTXSID101289939;BDBM50018792;NSC 301507;C20-H23-N-O4.C6-H8-O7;LS-118958;(S)-1-(3-mercaptopropanoyl)pyrrolidine-2-carboxylic acid;(L)-1-(3-Mercapto-propionyl)-pyrrolidine-2-carboxylic acid;Spiro[dibenz[b,e]oxepin-11(6H),2'-[1,3]dioxolane]-4'-methanamine, 2-methoxy-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Chemical Property of 1-(3-Mercapto-1-oxopropyl)-L-proline

Chemical Property:

• Vapor Pressure: 1.22E-08mmHg at 25°C
• Boiling Point: 431.1°Cat760mmHg
• Flash Point: 214.5°C
• Density: 1.321g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 203.06161445
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)CCS)C(=O)O
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)CCS)C(=O)O

Technology Process of 1-(3-Mercapto-1-oxopropyl)-L-proline

There total 8 articles about 1-(3-Mercapto-1-oxopropyl)-L-proline 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: 99.0%

methyl (S)-1-(3-(acetylthio)propanoyl)pyrrolidine-2-carboxylate → 1-(3-mercaptopropanoyl)-L-proline (63250-31-7)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmcl.2016.02.007

Reference yield:

1-[(3-acetylmercapto)-1-oxopropyl]-L-proline → 1-(3-mercaptopropanoyl)-L-proline (63250-31-7)

Guidance literature:

In methanolic ammonia; water;

Reference yield:

methanolic ammonia + 1-(3-acetylthiopropanoyl)-L-proline tert-butyl ester → 1-(3-mercaptopropanoyl)-L-proline (63250-31-7)

Guidance literature:

In methanol; diethyl ether;

upstream raw materials:

ammonium hydroxide

1-(3-benzoylthiopropanoyl)-L-proline

L-proline

3-mercaptopropionic acid

Downstream raw materials:

1-[3-[(4-Methylphenyl)dithio]propanoyl]-L-Proline

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