(3aalpha,4beta,6aalpha)-N,N-Bis[2-(Diphenylphosphino)Ethyl]Hexahydro-2-Oxo-1H-Thieno[3,4-d)Imidazole-4-Pentanamide
[CAS# 66561-97-5]

Identification

• Name: (3aalpha,4beta,6aalpha)-N,N-Bis[2-(Diphenylphosphino)Ethyl]Hexahydro-2-Oxo-1H-Thieno[3,4-d)Imidazole-4-Pentanamide
• Synonyms: N,N-Bis[2-Di(Phenyl)Phosphanylethyl]-5-(2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Valeramide; N,N-Bis(2-(Diphenylphosphino)Ethyl)-5-(2-Oxohexahydro-1H-Thieno(3,4-D)Imidazol-4-Yl)Pentanamide; Nsc 312905
• Molecular Formula: C₃₈H₄₃N₃O₂P₂S
• Molecular Weight: 667.78
• CAS Registry Number: 66561-97-5
• SMILES: C6=C(P(CCN(C(=O)CCCCC2C1NC(NC1CS2)=O)CCP(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C=CC=C6
• InChI: 1S/C38H43N3O2P2S/c42-36(24-14-13-23-35-37-34(29-46-35)39-38(43)40-37)41(25-27-44(30-15-5-1-6-16-30)31-17-7-2-8-18-31)26-28-45(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-12,15-22,34-35,37H,13-14,23-29H2,(H2,39,40,43)
• InChIKey: YQGVXWZSNIQEOR-UHFFFAOYSA-N

Properties

• Boiling point: 840.166°C at 760 mmHg (Cal.)
• Flash point: 461.916°C (Cal.)