(2S,3S)-3-[[3,5-Bis(Trifluoromethyl)Phenyl]Methoxy]-2-Phenylpiperidine
[CAS# 148700-85-0]

Identification

• Name: (2S,3S)-3-[[3,5-Bis(Trifluoromethyl)Phenyl]Methoxy]-2-Phenylpiperidine
• Synonyms: (2S,3S)-3-[[3,5-Bis(Trifluoromethyl)Phenyl]Methoxy]-2-Phenyl-Piperidine; (2S,3S)-3-[3,5-Bis(Trifluoromethyl)Benzyl]Oxy-2-Phenyl-Piperidine; Lopac0_000752
• Molecular Formula: C₂₀H₁₉F₆NO
• Molecular Weight: 403.37
• CAS Registry Number: 148700-85-0
• SMILES: [C@@H]2(OCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)[C@@H](NCCC2)C3=CC=CC=C3
• InChI: 1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1
• InChIKey: FCDRFVCGMLUYPG-ROUUACIJSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 383.473°C at 760 mmHg (Cal.)
• Flash point: 185.718°C (Cal.)

References

• (1): Sunil V. Pansare and Eldho K. Paul. Synthesis of (+)-L-733,060, (+)-CP-99,994 and (2S,3R)-3-hydroxypipecolic acid: Application of an organocatalytic direct vinylogous aldol reaction, Org. Biomol. Chem., 2012, 10, 2119.