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

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

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)
ghs
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.

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

InChIKey MMSCIQKQJVBPIR-RXMQYKEDSA-N

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