(S)-2-(2-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (S)-2-(2-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
• CAS No.: 706806-73-7
• Molecular Formula: C17H22 Br N O4
• Molecular Weight: 384.26
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30426259
• Nikkaji Number: J1.945.774E
• Wikidata: Q82239205
• Mol file: 706806-73-7.mol

Synonyms:706806-73-7;(S)-2-(2-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid;Boc-(S)-alpha-(2-bromobenzyl)-proline;BOC-(S)-ALPHA-(2-BROMO-BENZYL)-PROLINE;(2S)-2-[(2-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;Boc-(S)-alpha-(2-bromobenzyl)proline;DTXSID30426259;MFCD06797549;Boc-(S)-|A-(2-bromo-benzyl)-proline;PS-12545;CS-0439480;2-[(2-Bromophenyl)methyl]-1-(tert-butoxycarbonyl)-D-proline;(2S)-1-(tert-Butoxycarbonyl)-2-(2-bromobenzyl)-2-pyrrolidinecarboxylic acid;(2S)-2-[(2-bromophenyl)methyl]-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid

Chemical Property of (S)-2-(2-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 3.2E-10mmHg at 25°C
• Refractive Index: 1.573
• Boiling Point: 485.1°C at 760 mmHg
• Flash Point: 247.2°C
• PSA: 66.84000
• Density: 1.412g/cm³
• LogP: 3.78380
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 383.07322
• Heavy Atom Count: 23
• Complexity: 462

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-2-(2-Bromobenzyl)-1-(tert-butoxycarbonyl)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=C2Br)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=CC=C2Br)C(=O)O