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pd_meltingpoint:53-58℃
Purity:99%
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(R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanol is a key chiral intermediate in the synthesis of EMEND. Two complementary approaches for the enantioselective reduction of 1-[3,5-bis(trifluoromethyl)phenyl]ethanone are microbial versus asymmetric reduction of ketones through asymmetric hydrogen transfer.
The CAS number of (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol is 127852-28-2.
More information of (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 127852-28-2 are:
|
CAS Number |
127852-28-2 |
| European Community (EC) Number | 603-245-7 |
| UNII | 26EP435WQ9 |
| DSSTox Substance ID | DTXSID80381243 |
| Nikkaji Number | J1.427.078G |
| Wikidata | Q72447321 |
|
Density |
1.376 g/cm3 |
|
Melting Point |
53-58℃ |
|
Boiling Point |
175.8 °C at 760 mmHg |
|
Flash Point |
60.1 °C |
|
Vapor Pressure |
0.746mmHg at 25°C |
|
Refractive Index |
1.418 |
|
PSA |
20.23000 |
|
LogP |
3.77750 |
|
Pka |
13.99±0.20(Predicted) |
Synonyms for (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 127852-28-2:Benzenemethanol,a-methyl-3,5-bis(trifluoromethyl)-,(R)-;(1R)-1-[3,5-Bis(Trifluoromethyl)phenyl]ethanol;
The chemical formula of (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol is C10H8F6O which containing 10 Carbon atoms,8 Hydrogen atoms,6 Fluorine atoms and 1 Oxygen atoms,and the molecular weight of (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol is 258.163.
(R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanol was synthesized in 98% yield with >99% ee using the immobilized ketoreductase in a 50% hexanes/40% IPA/10% water solvent system. 1-[3,5-Bis(trifluoromethyl)phenyl]ethanone is a key precursor of (R)-1-[3,5-bis-(trifluoromethyl)phenyl]ethanol (R)-2, a sub-structure of the tachykinin NK1 receptor antagonist L-754030, a potent anti-depressant. Its structure is closely related to the structure of MK869, shown recently to be efficient in patients with major depressive disorder.
Isomeric SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O
Relevant articles related to (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol:
|
Article |
Source |
|
A convergent approach to the synthesis of aprepitant: a potent human NK-1 receptor antagonist |
Elati, Chandrashekar R.,Kolla, Naveenkumar,Gangula, Srinivas,Naredla, Anitha,Vankawala, Pravinchandra J.,Avinigiri, Muttu L.,Chalamala, Subrahmanyeswararao,Sundaram, Venkatraman,Mathad, Vijayavitthal T.,Bhattacharya, Apurba,Bandichhor, Rakeshwar , p. 8001 - 8004 (2007) |
| Carbonyl reductase identification and development of whole-cell biotransformation for highly efficient synthesis of (R)-[3,5-bis(trifluoromethyl)phenyl] ethanol |
Kangling Chen, Kefei Li, Jian Deng, Baoqi Zhang, Jinping Lin & Dongzhi Wei , Microbial Cell Factories volume 15, Article number: 191 (2016) |
|
Total production of (R)-3,5-bistrifluoromethylphenyl ethanol by asymmetric reduction of 3,5-bis(trifluoromethyl)-acetophenone in the submerged culture of Penicillium expansum isolate |
Kurbanoglu, Esabi B.,Zilbeyaz, Kani,Taskin, Mesut,Kurbanoglu, Namudar I. , p. 2759 - 2763 (2009) |
Senova Pharma is a quality supplier of (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol. Our main goal is customer satisfaction. Contact us to negotiate the wholesale price for your business on high purity (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 127852-28-2.