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

CAS No.：127852-28-2

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol Basic information

Uses Preparation

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

(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)

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

MSDS Information

(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]ethanol Preparation Products And Raw materials

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