114446-55-8
(S)-(-)-2-bromo-alpha-methylbenzyl alcohol
CAS: 114446-55-8
Molecular Formula: C8H9BrO
114446-55-8 - Names and Identifiers
| Name | (S)-(-)-2-bromo-alpha-methylbenzyl alcohol |
| Synonyms | (S)-1-(2-Bromophenyl)Ethanol (S)-1-(o-Bromophenyl)ethanol (S)-1-(2-BROMOPHENYL)ETHANOL (1S)-1-(2-bromophenyl)ethanol (S)-α-Methyl-2-bromobenzyl alcohol (S)-α-Methyl-2-bromobenzenemethanol (αS)-α-Methyl-2-bromobenzenemethanol (S)-2-BROMO-ALPHA-METHYLBENZYL ALCOHOL (S)-(?-2-Bromo-alpha-methylbenzyl alcohol (S)-(-)-2-bromo-alpha-methylbenzyl alcohol (S)-(-)-2-BROMO-ALPHA-METHYLBENZYL ALCOHOL |
| CAS | 114446-55-8 |
| InChI | InChI=1/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1 |
| InChIKey | DZLZSFZSPIUINR-LURJTMIESA-N |
114446-55-8 - Physico-chemical Properties
| Molecular Formula | C8H9BrO |
| Molar Mass | 201.06 |
| Density | 1.3646 (rough estimate) |
| Melting Point | 56-58°C(lit.) |
| Boling Point | 128°C15mm Hg(lit.) |
| Flash Point | 113.3°C |
| Vapor Presure | 0.0172mmHg at 25°C |
| pKa | 14.01±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5610 (estimate) |
114446-55-8 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| WGK Germany | 3 |
| HS Code | 29062900 |
114446-55-8 - Reference Information
| Application | (S)-(-)-2-bromo-1-α-methylbenzyl alcohol is a chiral secondary alcohol and is an important intermediate for the synthesis of optically active drugs. It is generally prepared by selective reduction of o-bromoacetophenone. |
| Synthesis method | (S)-(-)-2-bromo-1-α-methylbenzyl alcohol Asymmetric synthesis: 0.5mmol of 1-(2-bromophenyl) ethanol is added to the test tube, 1.5 mmol of dipropylene glycol dimethyl ether is added to the oxygen ball, and the reaction is carried out at 120 ℃ for 12 hours until the reaction is complete, add 2.5mmol of sodium formate, 0.0025mmol of catalyst B, add 4mL of methanol: water (3:1), replace with nitrogen for 3 times, react at 50 ℃ for 12 hours, wash with water after the reaction, extract with ethyl acetate for 3 times in the aqueous phase, concentrate the organic phase to dry, and separate by column chromatography (petroleum ether: ethyl acetate = 10:1), (S)-(-)-2-bromo-1-α-methylbenzyl alcohol (67.3mg) was obtained with a yield of 91% and an ee value of 88%. |
Last Update：2024-04-09 20:52:54
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CAS: 114446-55-8
Tel: 18301782025
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Mobile: 18021002903
QQ: 3008007409
Multiple Specifications
Product Name: (S)-1-(2-Bromophenyl)ethanol Request for quotationCAS: 114446-55-8
Tel: 0086-13605431940
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