(7aS)-1,1-Diphenyltetrahydro-1H-Pyrrolo[1,2-c][1,3]Oxazol-3-One
[CAS# 160424-29-3]

Identification

• Name: (7aS)-1,1-Diphenyltetrahydro-1H-Pyrrolo[1,2-c][1,3]Oxazol-3-One
• Synonyms: (S)-1,1-Diphenyl-tetrahydro-pyrrolo[1,2-c]oxazol-3-one
• Molecular Formula: C₁₈H₁₇NO₂
• Molecular Weight: 279.33
• CAS Registry Number: 160424-29-3
• SMILES: C1C[C@H]2C(OC(=O)N2C1)(C3=CC=CC=C3)C4=CC=CC=C4
• InChI: 1S/C18H17NO2/c20-17-19-13-7-12-16(19)18(21-17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2/t16-/m0/s1
• InChIKey: BEXXCWDIWBCVFX-INIZCTEOSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 485.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 247.1±28.7°C (Cal.)
• Refractive index: 1.65 (Cal.)

References

• (1): B.-T. Wang, H.-D. Yue, S.-P. Luo, L.-P. Wang and D.-Q. Xu. Diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]oxazol-3(1H)-one, Acta Cryst. (2007). E63, o1108-o1109