2-Benzyl 1-tert-butyl (2S,4R)-4-[(4-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate

Base Information

• Chemical Name: 2-Benzyl 1-tert-butyl (2S,4R)-4-[(4-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate
• CAS No.: 401793-01-9
• Molecular Formula: C24H26BrNO5
• Molecular Weight: 488.37
• DSSTox Substance ID: DTXSID50584204
• Wikidata: Q82475837
• Mol file: 401793-01-9.mol

Synonyms:401793-01-9;2-Benzyl 1-tert-butyl (2S,4R)-4-[(4-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate;2-O-benzyl 1-O-tert-butyl (2S,4R)-4-[(4-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate;SCHEMBL14265386;DTXSID50584204;(4R)-Boc-4-(4-bromobenzyl)-Pyr-OBzl, >=96.0% (HPLC);2-Benzyl 1-(tert-butyl) (2S,4R)-4-(4-bromobenzyl)-5-oxopyrrolidine-1,2-dicarboxylate

Chemical Property of 2-Benzyl 1-tert-butyl (2S,4R)-4-[(4-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate

Chemical Property:

• Vapor Pressure: 3.23E-14mmHg at 25°C
• Boiling Point: 597°C at 760 mmHg
• Flash Point: 314.9°C
• PSA: 72.91000
• Density: 1.37g/cm³
• LogP: 4.82510
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 487.09944
• Heavy Atom Count: 31
• Complexity: 647

Purity/Quality:

99%min ^*data from raw suppliers

(4R)-Boc-4-(4-bromobenzyl)-Pyr-OBzl ≥96.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C(CC(C1=O)CC2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3
• Isomeric SMILES: CC(C)(C)OC(=O)N1[C@@H](C[C@H](C1=O)CC2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3