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

CAS NO.：127852-28-2
Empirical Formula: C10H8F6O
Molecular Weight: 258.16
MDL number: MFCD03093010
EINECS: 603-245-7
SAFETY DATA SHEET (SDS)
Update Date: 2024-08-19 17:35:41

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

Chemical properties

White fine crystalline powder

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

(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.

General Description

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol is a key intermediate for the synthesis of aprepitant, a potent human neurokinin-1 (NK-1) receptor.

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

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)
form	Powder
pka	13.99±0.20(Predicted)
color	White
optical activity	[α]/D +27±1°, c = 1 in acetonitrile
λmax	272nm(MeOH)(lit.)
CAS DataBase Reference	127852-28-2(CAS DataBase Reference)

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

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up.