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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
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
Molecular Weight:
258.16
MDL Number:
MFCD03093010
MOL File:
127852-28-2.mol
MSDS File:
SDS
Last updated:2026-01-13 11:21:35
Product description Number Pack Size Price
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol ≥98.0% (GC) 49554 5g $72
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol ≥98.0% (GC) 49554 25g $216
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol >98.0%(GC) B4131 5g $59
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol >98.0%(GC) B4131 25g $192
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol B416125 25g $260
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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)  GHS hazard pictograms
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
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(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol price More Price(39)

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 2025-07-31 Buy
TCI Chemical B4131 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol >98.0%(GC) 127852-28-2 25g $192 2025-07-31 Buy
TRC B416125 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 127852-28-2 25g $260 2021-12-16 Buy
Product number Packaging Price Buy
49554 5g $72 Buy
49554 25g $216 Buy
B4131 5g $59 Buy
B4131 25g $192 Buy
B416125 25g $260 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( 451)Suppliers
Supplier Tel Email Country ProdList Advantage
Shanghai Yingrui Biopharma Co.,Ltd
21-33585366 export01@shyrchem.com CHINA 1319 58
Henan Bao Enluo International TradeCo.，LTD 		+86-17331933971 deasea125996@gmail.com China 2472 58
Hangzhou ICH Biofarm Co., Ltd 		+86-0571-28186870; +undefined8613073685410 sales@ichemie.com China 1006 58
Anhui Ruihan Technology Co., Ltd 		+8617756083858 daisy@anhuiruihan.com China 973 58
Hebei Zhuanglai Chemical Trading Co Ltd 		+86-16264648883 niki@zlchemi.com China 7245 58
Frapp's ChemicalNFTZ Co., Ltd. 		+86 (576) 8169-6106 sales@frappschem.com China 880 50
Capot Chemical Co.,Ltd. 		+86-（0）57185586718; +8613336195806 sales@capot.com China 29735 60
Shanghai Daken Advanced Materials Co.,Ltd 		+86-2158073036 info@dakenam.com China 13620 58
Beijing Cooperate Pharmaceutical Co.,Ltd 		010-60279497 sales01@cooperate-pharm.com CHINA 1803 55
Henan Tianfu Chemical Co.,Ltd. 		+86-0371-55170693 +86-19937530512 info@tianfuchem.com China 21599 55
Supplier Advantage
Shanghai Yingrui Biopharma Co.,Ltd
58
Henan Bao Enluo International TradeCo.，LTD 		58
Hangzhou ICH Biofarm Co., Ltd 		58
Anhui Ruihan Technology Co., Ltd 		58
Hebei Zhuanglai Chemical Trading Co Ltd 		58
Frapp's ChemicalNFTZ Co., Ltd. 		50
Capot Chemical Co.,Ltd. 		60
Shanghai Daken Advanced Materials Co.,Ltd 		58
Beijing Cooperate Pharmaceutical Co.,Ltd 		55
Henan Tianfu Chemical Co.,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 2026-01-04 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
127852-28-2
 US $0.00-0.00 / kg 1kg 99% ≥1kg Hangzhou ICH Biofarm Co., Ltd
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol pictures 2025-12-01 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
127852-28-2
 US $0.00 / kg 1kg 99% 10000KGS Shaanxi Dideu New Materials Co. Ltd
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol pictures 2025-09-26 (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
127852-28-2
 US $300.00-250.00 / kg 100kg 99.99% 100Tons Hebei Dangtong Import and export 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:

2-AMINO-1-PHENYLETHANOL Diphenyl ether Chlorodimethylphenylsilane Phenyl salicylate Ethanol
Silicone oil (high temperature) N-Methyldiethanolamine Ethyl acetate PHENYL VALERATE 2-Methylaminoethanol
Phenethyl alcohol PHENYL RESIN 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,(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANOL Aprepitant

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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)ETHAN-1-OL (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) 127852-28-2 C10H8F7O C10H8OF6 API intermediates Alcohols, Hydroxy Esters and Derivatives Chiral Compounds 127852-28-2