(2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-chlorobenzyl)pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-chlorobenzyl)pyrrolidine-2-carboxylic acid
• CAS No.: 959576-35-3
• Molecular Formula: C17H22ClNO4
• Molecular Weight: 339.81388
• DSSTox Substance ID: DTXSID30376008
• Wikidata: Q82164755
• Mol file: 959576-35-3.mol

Synonyms:959576-35-3;(2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-chlorobenzyl)pyrrolidine-2-carboxylic acid;(2S,4R)-4-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;Boc-(R)-gamma-(4-chloro-benzyl)-L-proline;SCHEMBL1372354;DTXSID30376008;MFCD06659397;AKOS015949702;(2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-chlorobenzyl)pyrrolidine-2-carboxylicacid;AS-46714;F10069;(2S,4R)-1-[(tert-butoxy)carbonyl]-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid

Chemical Property of (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-chlorobenzyl)pyrrolidine-2-carboxylic acid

Chemical Property:

• Boiling Point: 472.4±35.0 °C(Predicted)
• PKA: 3.96±0.40(Predicted)
• PSA: 66.84000
• Density: 1.261±0.06 g/cm3(Predicted)
• LogP: 3.53060
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 339.1237359
• Heavy Atom Count: 23
• Complexity: 440

Purity/Quality:

97% ^*data from raw suppliers

(2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-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)N1CC(CC1C(=O)O)CC2=CC=C(C=C2)Cl
• Isomeric SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)CC2=CC=C(C=C2)Cl