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

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol Structure
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol structure
CAS No.
127852-28-2
Chemical Name:
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
Synonyms
(R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHAN-1-OL;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
CBNumber:
CB5113482
Molecular Formula:
C10H8F6O
Molecular Weight:
258.16
MDL Number:
MFCD03093010
MOL File:
127852-28-2.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-05-28 02:22:08
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(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 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.)
InChI InChI=1/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/s3
InChIKey MMSCIQKQJVBPIR-RXMQYKEDSA-N
SMILES C(C1C=C([C@H](O)C)C=C(C(F)(F)F)C=1)(F)(F)F |&1:4,r|
CAS DataBase Reference 127852-28-2(CAS DataBase Reference)
FDA UNII 26EP435WQ9
UNSPSC Code 12352002

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H302-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE dust mask type N95 (US), Eyeshields, Gloves
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
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704
1
2 0

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol price More Price(71)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 49554 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol ≥98.0% (GC) 127852-28-2 5g $72 2023-06-20 Buy
Sigma-Aldrich 49554 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol ≥98.0% (GC) 127852-28-2 25g $216 2023-06-20 Buy
TCI Chemical B4131 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol >98.0%(GC) 127852-28-2 5g $59 2026-04-30 Buy
TCI Chemical B4131 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol >98.0%(GC) 127852-28-2 25g $192 2026-04-30 Buy
Usbiological 264452 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol Asreported 127852-28-2 10g $339 2026-06-03 Buy
Product number Packaging Price Buy
49554 5g $72 Buy
49554 25g $216 Buy
B4131 5g $59 Buy
B4131 25g $192 Buy
264452 10g $339 Buy

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol Chemical Properties,Uses,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.

Synthesis

3',5'-Bis(trifluoromethyl)acetophenone

30071-93-3

1-AMINO-2-HYDROXYINDANE

7480-35-5

1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHAN-1-OL

368-63-8

The general procedure for the synthesis of 1-[3,5-bis(trifluoromethyl)phenyl]ethanol from 3,5-bis(trifluoromethyl)phenylacetophenone and cis-1-amino-2,3-dihydro-1H-inden-2-ol was as follows: in Example 5, [RuCl2(p-cymene)]2 (18.4 g), (1S,2R)- cis-1-amino-2-inden-2-ol (9.0 g) and 1- (3,5-bis(trifluoromethyl)phenyl)ethan-1-one (3 kg) were dissolved in 2-propanol (21 L), stirred for 30 min and thoroughly degassed under vacuum. A 5M sodium hydroxide solution (28mL) was then added and the mixture was aged for 4-6 hours to ensure complete conversion of the feedstock. Upon completion of the reaction, the mixture was poured into 1N HCl (21L) and extracted with heptane (2 x 10.5L). The organic layers were combined, washed with brine, and 1,4-diazabicyclo[2.2.2]octane (740 g) was added. The solution was concentrated to nearly 4 mL/g of alcohol (KF < 200 μg/mL; 2-propanol < 5 vol%). The mixture was inoculated at 40°C and allowed to cool slowly to room temperature to form crystalline species, which were then further cooled to 0°C. The crystalline product was collected by filtration, washed with cold heptane and dried to give the DABCO complex in 75-80% yield and ee value >99%.

References

[1] Patent: US2002/22725, 2002, A1
[2] Patent: US2002/52493, 2002, A1
[3] Patent: US2002/52494, 2002, A1
[4] Patent: US6432952, 2002, B1
[5] Patent: US2003/215456, 2003, A1

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol Preparation Products And Raw materials

Raw materials

(R)-[3,5-bis(trifluoromethyl)phenyl]ethanol 3',5'-Bis(trifluoromethyl)acetophenone (R)-O-Acetyl-1-[3,5-bis(trifluoromethyl)phenyl]ethanol 1-Amino-2-hydroxyindane Sodium hydroxide
Isopropyl alcohol

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Preparation Products

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

Global( 448)Suppliers
Supplier Tel Email Country ProdList Advantage
Ningbo biermann pharmaceutical technology co., LTD 0571-82572971 13736400971 bichem.sales01@bichem.cn China 47 58
Chiral Quest (Suzhou) Co., Ltd. 0512-62956066 18112603058 kendoll@cqpharm.com China 96 58
Ningbo Enzyme Chemical Co., LTD 0574-+86-574-8773-0716-654-654 18042089573 yufang.jiang@enzymaster.com China 42 58
Shaoxing Jiatuo Pharmaceutical Technology Co., Ltd. 0575-13967584673 13967584673 jianqiu21@sina.com China 23 58
Shanghai Boyle Chemical Co., Ltd. sales@boylechem.com China 2915 55
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
Alfa Aesar 400-6106006 saleschina@alfa-asia.com China 30103 84
TCI (Shanghai) Development Co., Ltd. 021-67121386 Sales-CN@TCIchemicals.com China 24512 81
Energy Chemical 400-0056266 sales8178@energy-chemical.com China 44850 61
Enantiotech Corporation Ltd 760-85282375 15900088539 sale02@enantiotech.com China 84 55
Supplier Advantage
Ningbo biermann pharmaceutical technology co., LTD 58
Chiral Quest (Suzhou) Co., Ltd. 58
Ningbo Enzyme Chemical Co., LTD 58
Shaoxing Jiatuo Pharmaceutical Technology Co., Ltd. 58
Shanghai Boyle Chemical Co., Ltd. 55
J & K SCIENTIFIC LTD. 76
Alfa Aesar 84
TCI (Shanghai) Development Co., Ltd. 81
Energy Chemical 61
Enantiotech Corporation Ltd 55

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View Lastest Price from (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol pictures 2026-08-21 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
127852-28-2
 $250.00-300.00 100kg 99.99% 100Tons Hebei Dangtong Import and export Co LTD
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol pictures 2026-08-08 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
127852-28-2
 1kg 99% Hangzhou ICH Biofarm Co., Ltd
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol pictures 2026-06-30 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
127852-28-2
 1kg 99% 10000KGS Shaanxi Dideu New Materials Co. Ltd

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

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol(127852-28-2)1HNMR

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

Phenethyl alcohol Silicone oil (high temperature) N-Methyldiethanolamine Ethyl acetate Diphenyl ether
Chlorodimethylphenylsilane Phenyl salicylate Ethanol 2-Methylaminoethanol Phenyl valerate
2-Amino-1-phenylethanol Phenyl resin Aprepitant methylphenyl silicone resin 2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine
2-[3,5-Bis(trifluoromethyl)phenyl]propan-2-ol 2-Dimethylaminoethanol (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol

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(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% (1R)-1-[3,6-BIS(TRIFLUOROMETHYL)PHENYL]ETHANOL R-MBT-PEL (R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANOL (R)-1-[BIS-3,5-(TRIFLUOROMETHYL)PHENYL]ETHANOL Benzenemethanol, a-methyl-3,5-bis(trifluoromethyl)-, (aR)- (1R)-(+)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol (R)-1-[3,5-Bis(trifluoroMethyl)phenyl]ethanol >=98.0% (GC) Benzenemethanol, .alpha.-methyl-3,5-bis(trifluoromethyl)-, (.alpha.R)- (R)-1-[3,5-Bis(trifluoromethyl) phenyl]ethanol,Aprepitant intermediate (R)-1-[3,5-Bis(trilfuoromethyl)phenyl]ethanol (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol > (R)-1-[3,5-di (trifluoromethyl) phenyl] ethanol (R)-1-[3,5-Bis(trifL Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)-, (αR)- (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl Alcohol (R)-3,5-Bis(trifluoromethyl)-alpha-methylbenzyl Alcohol Aprepitant intermediates，(R)-1-[3,5- Bis(trifluoromethyl)phenyl]ethanol ?-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, 98%, (R)-1-[3,5-Bis(trifluoromethyl)phenyi]ethanol 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 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol (αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol (Aprepitant impurity) (R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHAN-1-OL 127852-28-2 C10H8F7O C10H8OF6 API intermediates Alcohols, Hydroxy Esters and Derivatives Chiral Compounds 127852-28-2