(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol

CAS: 127852-28-2

Ref. TR-B416125

Product Information

• Name: (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
• Synonyms: (alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)-Benzenemethanol, (1R)-1-[3,5-Bis(Trifluoromethyl)phenyl]ethanol
• Brand: TRC
• Description: Applications (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol is an intermediate in the synthesis of Aprepitant (A729800), a novel selective neurokinin-1 (NK-1) receptor antagonist. In vitro studies using human liver microsomes indicate that Aprepitant is metabolised primarily by CYP3A4 with minor metabolism by CYP1A2 and CYP2C19, and no metabolism by CYP2D6, CYP2C9, or CYP2E1. Antiemetic.References Vankawala, P.J., et. al.: Synthetic Comm., 37, 3439 (2007); Hale, J.J., et al.: J. Med. Chem., 41, 4607 (1998); Campos, D., et al.: J. Clin. Oncol., 19, 1759 (2001); Van Belle, S., et al.: Cancer, 94, 3032 (2002); Majumdar, A.K., et al.: J. Clin. Pharmacol., 46, 291 (2006)

Chemical properties

• Molecular weight: 258.16
• Formula: C₁₀H₈F₆O
• Color/Form: Neat
• InChI: InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m1/s1
• InChI key: InChIKey=MMSCIQKQJVBPIR-RXMQYKEDSA-N
• SMILES: C[C@@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1