Uses Preparation
ChemicalBook > CAS DataBase List > (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol

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

Uses Preparation
Product Name
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
CAS No.
127852-28-2
Chemical Name
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
Synonyms
C1oHgF6O;R-MBT-PEL;(R)-1-[3,5-Bis(trifL;Aprepitant Impurity 49;Phenol,5-iodo-4-methyl-;Fosaprepitant Impurity 25;Rolapitant Intermediate 3;Thiazole,2-bromo-9-methyl-;(R)-1-[3,5- Bis(trifluoromethyl)phenyl]et;(R)-BIS-3,5-TRIFLUOROMETHYL-1-PHENYLETHANOL
CBNumber
CB5113482
Molecular Formula
C10H8F6O
Formula Weight
258.16
MOL File
127852-28-2.mol
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(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol Property

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

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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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
49554
Product name
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
Purity
≥98.0% (GC)
Packaging
5g
Price
$72
Updated
2023/06/20
Sigma-Aldrich
Product number
49554
Product name
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
Purity
≥98.0% (GC)
Packaging
25g
Price
$216
Updated
2023/06/20
TCI Chemical
Product number
B4131
Product name
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
Purity
>98.0%(GC)
Packaging
5g
Price
$66
Updated
2024/03/01
TCI Chemical
Product number
B4131
Product name
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
Purity
>98.0%(GC)
Packaging
25g
Price
$213
Updated
2024/03/01
Alfa Aesar
Product number
H60893
Product name
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, 98%
Packaging
5g
Price
$73.08
Updated
2023/01/06
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(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol Chemical Properties,Usage,Production

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

Raw materials

Preparation Products

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

Carbosynth
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Apollo Scientific Ltd
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Leancare Ltd.
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CARBONE SCIENTIFIC CO.,LTD
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ETA SCIENTIFIC Co.,Ltd
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UK GREEN SCIENTIFIC CO.,LIMITED
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Fluorochem Ltd
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View Lastest Price from (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol manufacturers

Hebei Dangtong Import and export Co LTD
Product
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 127852-28-2
Price
US $300.00-250.00/kg
Min. Order
100kg
Purity
99.99%
Supply Ability
100Tons
Release date
2023-03-06
Hebei Chuanghai Biotechnology Co,.LTD
Product
(R)-1-[3,5-Bis(trilfuoromethyl)phenyl]ethanol 127852-28-2
Price
US $5.00-2.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000kg
Release date
2024-08-19
Hangzhou ICH Biofarm Co., Ltd
Product
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 127852-28-2
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
≥1kg
Release date
2023-07-18

127852-28-2, (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanolRelated Search:


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  • Thiazole,2-bromo-9-methyl-
  • Phenol,5-iodo-4-methyl-
  • Benzenemethanol,α-methyl-3,5-bis(trifluoromethyl)-,(αR)-
  • (S)-1-(3,5-Bi(trifluoromethyl)phenyl)ethan-1-ol
  • (αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol
  • (alphaR)-alpha-Methyl-3,5-bis(trifluoromethyl)-benzenemethanol
  • C1oHgF6O
  • (R)-l-(3,5-bis(trifluorom ethyl)pheny l)ethan-1 -ol
  • (R)-1-[3,5- Bis(trifluoromethyl)phenyl]et
  • 127852-28-2
  • C10H8F7O
  • C10H8OF6
  • API intermediates
  • Alcohols, Hydroxy Esters and Derivatives
  • Chiral Compounds
  • 127852-28-2