(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
- CAS NO.：127852-28-2
- Empirical Formula: C10H8F6O
- Molecular Weight: 258.16
- MDL number: MFCD03093010
- EINECS: 603-245-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-09 16:05:57
![(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol Structural](https://img.chemicalbook.in/CAS/GIF/127852-28-2.gif)
What is (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol?
Chemical properties
White fine crystalline powder
The Uses of (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
(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.
Properties of (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
| 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) |
| form | Powder |
| pka | 13.99±0.20(Predicted) |
| color | White |
| optical activity | [α]/D +27±1°, c = 1 in acetonitrile |
| λmax | 272nm(MeOH)(lit.) |
| CAS DataBase Reference | 127852-28-2(CAS DataBase Reference) |
Safety information for (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
| InChIKey | MMSCIQKQJVBPIR-RXMQYKEDSA-N |
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol manufacturer
JSK Chemicals
2Y
Phone:+919879767970
Whatsapp: +91 9879767970
product: (R)-1-[3,5- Bis(trifluoromethyl)phenyl]et 99%
BASF India Limited
1Y
Phone:+91-2262785600
product: (R)-1-[3,5-Bis-(trifluoromethyl)phenyl]ethanol 127852-28-2 98%
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