(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
CAS: 127852-28-2
Molecular Formula: C10H8F6O
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol - Names and Identifiers
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol - Physico-chemical Properties
| Molecular Formula | C10H8F6O |
| Molar Mass | 258.16 |
| Density | 1.376±0.06 g/cm3(Predicted) |
| Melting Point | 53-58℃ |
| Boling Point | 175.8±35.0 °C(Predicted) |
| Flash Point | 60.1°C |
| Solubility | Acetonitrile (Slightly), Chloroform (Slightly) |
| Vapor Presure | 0.746mmHg at 25°C |
| Appearance | White solid |
| Color | White |
| Maximum wavelength(λmax) | ['272nm(MeOH)(lit.)'] |
| pKa | 13.99±0.20(Predicted) |
| Storage Condition | -20°C Freezer |
| Refractive Index | 1.418 |
| MDL | MFCD03093010 |
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| WGK Germany | 3 |
| HS Code | 29062990 |
| Hazard Note | Irritant |
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol - Reference Information
| overview | r)-1-[3, 5-bis (trifluoromethyl) phenyl] ethanol is an important chiral intermediate for the synthesis of antiemetic drug aprepitant (Aprepitant). aprepitant is a drug approved by the US Food and Drug Administration (FDA) to reduce vomiting and delayed vomiting in 2003, at the same time, the alcohol is also an important chiral intermediate for the synthesis of NK1 receptor antagonists and antidepressants. The synthesis methods of (R)-1-[3, 5-bis (trifluoromethyl) phenyl] ethanol have been reported so far. There are two main types of methods: chemical method and biological method. Although the above two methods have achieved relatively good results, these two methods still have many shortcomings. |
| preparation | 3, 5-difluoromethylacetophenone is dissolved in methanol, under ice bath, 2% sodium borohydride sodium hydroxide solution is added dropwise, after reaction for 2 hours, hydrochloric acid is used to produce no bubbles, methanol solvent is distilled, cooled, extracted with dichloromethane, dried and concentrated to obtain racemic product. |
| use | (R)-1-[3, 5-bis (trifluoromethyl) phenyl] ethanol is mainly used to treat depression and chemotherapy-induced vomiting; It can prevent acute and delayed nausea and vomiting caused by repeated chemotherapy for the first time and later. The aprepitant/aprepitant intermediate; Arepitant morpholine hydrochloride side chain. Arepitant side chain |
Last Update：2024-04-10 22:29:15
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