(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol , 98% , 127852-28-2

CAS NO.：127852-28-2

Empirical Formula: C10H8F6O

Molecular Weight: 258.16

MDL number: MFCD03093010

EINECS: 603-245-7

PRODUCT Properties

• Melting point: 53-58℃
• Boiling point: 175.8±35.0 °C(Predicted)
• Density: 1.376±0.06 g/cm3(Predicted)
• storage temp.: -20°C Freezer
• solubility: Acetonitrile (Slightly), Chloroform (Slightly)
• pka: 13.99±0.20(Predicted)
• form: Powder
• color: White
• optical activity: [α]/D +27±1°, c = 1 in acetonitrile
• λmax: 272nm(MeOH)(lit.)
• InChIKey: MMSCIQKQJVBPIR-RXMQYKEDSA-N

Description and Uses

(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.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H302-H335
• Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
• Hazard Codes: Xi,Xn
• Risk Statements: 36/37/38-52/53-22
• Safety Statements: 26-36/37/39-61
• WGK Germany: 3
• Hazard Note: Irritant
• HS Code: 29062990