3-Pyrrolidine, 2-(chloroacetyl)-1-((4-methylphenyl)sulfonyl)-, (S)-

Base Information

• Chemical Name: 3-Pyrrolidine, 2-(chloroacetyl)-1-((4-methylphenyl)sulfonyl)-, (S)-
• CAS No.: 63762-06-1
• Molecular Formula: C13H16 Cl N O3 S
• Molecular Weight: 301.789
• DSSTox Substance ID: DTXSID70213201
• Wikidata: Q76152434
• Mol file: 63762-06-1.mol

Synonyms:BRN 1486462;N-Tosyl-L-proline chloromethyl ketone;3-Pyrrolidine, 2-(chloroacetyl)-1-((4-methylphenyl)sulfonyl)-, (S)-;(S)-2-(Chloroacetyl)-1-((4-methylphenyl)sulfonyl)-3-pyrrolidine;63762-06-1;DTXSID70213201;LS-137487

Chemical Property of 3-Pyrrolidine, 2-(chloroacetyl)-1-((4-methylphenyl)sulfonyl)-, (S)-

Chemical Property:

• Vapor Pressure: 2.89E-08mmHg at 25°C
• Boiling Point: 449.3°Cat760mmHg
• Flash Point: 225.5°C
• Density: 1.335g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 301.0539422
• Heavy Atom Count: 19
• Complexity: 424

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)CCl
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)CCl

Technology Process of 3-Pyrrolidine, 2-(chloroacetyl)-1-((4-methylphenyl)sulfonyl)-, (S)-

There total 2 articles about 3-Pyrrolidine, 2-(chloroacetyl)-1-((4-methylphenyl)sulfonyl)-, (S)- 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: 80.0%

(2S)-1-Tosyl-2-pyrrolidyl-diazomethyl-keton (67488-66-8) → 2-Chloro-1-[(S)-1-(toluene-4-sulfonyl)-pyrrolidin-2-yl]-ethanone (63762-06-1)

Guidance literature:

With hydrogenchloride; at 0 - 20 ℃;

DOI:10.1021/jm00177a012

Reference yield:

N-tosyl-L-prolyl chloride (54731-09-8,118776-39-9) → 2-Chloro-1-[(S)-1-(toluene-4-sulfonyl)-pyrrolidin-2-yl]-ethanone (63762-06-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 51 percent / diethyl ether; CHCl₃ / 0 - 20 °C

2: 80 percent / HCl / 0 - 20 °C

With hydrogenchloride; In diethyl ether; chloroform;

DOI:10.1021/jm00177a012

upstream raw materials:

(2S)-1-Tosyl-2-pyrrolidyl-diazomethyl-keton

N-tosyl-L-prolyl chloride