Basic information Uses Preparation Safety Supplier Related
ChemicalBook >  Product Catalog >  Chemical Reagents >  Organic reagents >  Aromatics >  (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol

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

Basic information Uses Preparation Safety Supplier Related

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

Product Name:
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
Synonyms:
  • (R)-BIS-3,5-TRIFLUOROMETHYL-1-PHENYLETHANOL
  • Rolapitant Intermediate 3
  • (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol127852-28-2
  • (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol,99%e.e.
  • Fosaprepitant Impurity 25
  • Aprepitant Impurity 49
  • (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol (Aprepitant)
  • (R)-1-[3,5-BIS(TRIFLUORO-METHYL)-PHENYL]ETHANOL 98%
CAS:
127852-28-2
MF:
C10H8F6O
MW:
258.16
EINECS:
603-245-7
Product Categories:
  • API intermediates
  • Alcohols, Hydroxy Esters and Derivatives
  • Chiral Compounds
  • 127852-28-2
Mol File:
127852-28-2.mol
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(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol Chemical 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
CAS DataBase Reference
127852-28-2(CAS DataBase Reference)
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Safety Information

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

Uses

(R)-[3,5-bis (trifluoromethyl) phenyl] ethanol is an important chiral intermediate for the synthesis of novel chemotherapeutic and antiemetic drugs NK-1 receptor antagonists. Antidepressants have good potential efficacy in treating a range of central and peripheral nervous system depressions.

Preparation

At present, the methods for preparing optically pure (R)-[3,5-bis (trifluoromethyl) phenyl] ethanol include chemical methods and biological methods. Chemical synthesis requires the use of expensive transition metal Ru and other chemical catalysts, complicated steps, harsh reaction conditions, high energy consumption, large pollution, and low yield. Biological law is the use of free enzymes or whole cells for catalytic preparation. It has the characteristics of mild reaction conditions, high catalytic efficiency, and strong specificity.

Chemical Properties

White fine crystalline powder

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.

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.

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

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