(S)-1-(tert-Butoxycarbonyl)-2-(2-chlorobenzyl)pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (S)-1-(tert-Butoxycarbonyl)-2-(2-chlorobenzyl)pyrrolidine-2-carboxylic acid
• CAS No.: 706806-67-9
• Molecular Formula: C17H22 Cl N O4
• Molecular Weight: 339.81
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20426203
• Nikkaji Number: J1.945.768K
• Wikidata: Q82239167
• Mol file: 706806-67-9.mol

Synonyms:706806-67-9;(S)-1-(tert-Butoxycarbonyl)-2-(2-chlorobenzyl)pyrrolidine-2-carboxylic acid;Boc-(S)-alpha-(2-chlorobenzyl)proline;BOC-(S)-ALPHA-(2-CHLORO-BENZYL)-PROLINE;(2S)-2-[(2-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;starbld0000424;DTXSID20426203;MFCD06797546;PS-12083;1-(tert-Butoxycarbonyl)-2-[(2-chlorophenyl)methyl]-D-proline;(2S)-1-(tert-Butoxycarbonyl)-2-(2-chlorobenzyl)-2-pyrrolidinecarboxylic acid;(2S)-1-[(tert-butoxy)carbonyl]-2-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid

Chemical Property of (S)-1-(tert-Butoxycarbonyl)-2-(2-chlorobenzyl)pyrrolidine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.5E-09mmHg at 25°C
• Refractive Index: 1.562
• Boiling Point: 467.7°C at 760 mmHg
• Flash Point: 236.7°C
• PSA: 66.84000
• Density: 1.268g/cm³
• LogP: 3.67470
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 339.1237359
• Heavy Atom Count: 23
• Complexity: 462

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-1-(tert-Butoxycarbonyl)-2-(2-chlorobenzyl)pyrrolidine-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC1(CC2=CC=CC=C2Cl)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=CC=C2Cl)C(=O)O