(4S)-4-(phenylsulfanyl)-L-proline

Base Information

• Chemical Name: (4S)-4-(phenylsulfanyl)-L-proline
• CAS No.: 81653-77-2
• Molecular Formula: C11H13NO2S
• Molecular Weight: 223.296
• European Community (EC) Number: 617-252-8
• DSSTox Substance ID: DTXSID50464052
• Nikkaji Number: J516.135E
• Wikidata: Q76417010
• Mol file: 81653-77-2.mol

Synonyms:81653-77-2;cis-4-phenylthio-l-prolin;(2S,4S)-4-phenylsulfanylpyrrolidine-2-carboxylic Acid;(4S)-4-(phenylsulfanyl)-L-proline;EC 617-252-8;cis-4-(phenylthio)-L-proline;SCHEMBL642482;DTXSID50464052;(4S)-4-(phenylthio)-L-proline;(cis)-4-(phenylthio)-L-proline;PCIUUPKYZVILEM-UWVGGRQHSA-N;AKOS040768571

Chemical Property of (4S)-4-(phenylsulfanyl)-L-proline

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Boiling Point: 417-417.7℃[at 101 325 Pa]
• PSA: 74.63000
• LogP: 1.92260
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 223.06669983
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CNC1C(=O)O)SC2=CC=CC=C2
• Isomeric SMILES: C1[C@@H](CN[C@@H]1C(=O)O)SC2=CC=CC=C2

Technology Process of (4S)-4-(phenylsulfanyl)-L-proline

There total 1 articles about (4S)-4-(phenylsulfanyl)-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: 60.0%

→ (S)-4-phenylthio-L-proline (81653-77-2)

Guidance literature:

Reference yield: 97.0%

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile (58632-95-4) + (S)-4-phenylthio-L-proline (81653-77-2) → (2S,4S)-4-(phenylsulfanyl)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester (83623-88-5)

Guidance literature:

With triethylamine; In water; acetone; for 24h;

DOI:10.1021/jm00401a014

Reference yield: 97.0%

methanol (67-56-1) + (S)-4-phenylthio-L-proline (81653-77-2) → 4-phenylsulfanylpyrrolidine-2-carboxylic acid methyl ester (126111-05-5)

Guidance literature:

With chloro-trimethyl-silane; for 10h; Heating;

DOI:10.1016/j.bmc.2003.10.054

Downstream raw materials:

(2S,4S)-4-(phenylsulfanyl)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester

(1S,4S)-1-<3-(acetylthio)-2-methyl-1-oxopropyl>-4-(phenylthio)-L-proline

zofenopril

4-phenylsulfanylpyrrolidine-2-carboxylic acid methyl ester

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