7,7-Diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one
[CAS# 135911-02-3]

Identification

• Name: 7,7-Diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one
• Synonyms: (3Ar,7Ar)-2-[1-Imino-2-(2-Methoxyphenyl)Ethyl]-7,7-Di(Phenyl)-1,3,3A,5,6,7A-Hexahydroisoindol-4-One; (3Ar,7Ar)-2-[2-(2-Methoxyphenyl)Acetimidoyl]-7,7-Di(Phenyl)-1,3,3A,5,6,7A-Hexahydroisoindol-4-One; Ncgc00025240-01
• Molecular Formula: C₂₉H₃₀N₂O₂
• Molecular Weight: 438.57
• CAS Registry Number: 135911-02-3
• SMILES: [C@H]34C(C1=CC=CC=C1)(C2=CC=CC=C2)CCC(=O)[C@H]3CN(C4)C(=N)CC5=C(OC)C=CC=C5
• InChI: 1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1
• InChIKey: VWBOQFANCXZMAU-LOSJGSFVSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 588.517°C at 760 mmHg (Cal.)
• Flash point: 309.724°C (Cal.)
• solubility: Soluble to 100 mM in ethanol and to 50 mM in DMSO