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| | (S)-1-(2-Bromophenyl)ethanol Basic information | | Synthesis |
| | (S)-1-(2-Bromophenyl)ethanol Chemical Properties |
| Melting point | 56-58 °C(lit.) | | Boiling point | 128 °C15 mm Hg(lit.) | | density | 1.3646 (rough estimate) | | refractive index | 1.5610 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | form | solid | | pka | 14.01±0.20(Predicted) | | Appearance | White to off-white Solid | | Optical Rotation | [α]30/D 54°, c = 1 in chloroform | | InChI | 1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1 | | InChIKey | DZLZSFZSPIUINR-LURJTMIESA-N | | SMILES | C[C@H](O)c1ccccc1Br | | CAS DataBase Reference | 114446-55-8 |
| Hazard Codes | Xi | | Risk Statements | 36/37/38-20/21/22 | | Safety Statements | 26-36-36/37/39 | | WGK Germany | 3 | | HS Code | 29062900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | (S)-1-(2-Bromophenyl)ethanol Usage And Synthesis |
| Synthesis | Asymmetric Synthesis of (S)-1-(2-BROMOPHENYL)ETHANOL: 
Add 0.5 mmol of 1-(2-bromophenyl)ethanol to a test tube, add 1.5 mmol of dipropylene glycol dimethyl ether, purge with an oxygen bulb, and react at 120°C for 12 hours until the reaction is complete. Add 2.5 mmol of sodium formate to the reaction system, then add 0.0025 mmol of catalyst B, add 4 mL of methanol:water (3:1), and purge with nitrogen for 3 hours. The reaction was carried out at 50°C for 12 hours. After the reaction, the sample was washed with water, and the aqueous phase was extracted three times with ethyl acetate. The combined organic phases were concentrated to dryness and separated by column chromatography (petroleum ether: ethyl acetate = 10:1) to give (S)-1-(2-BROMOPHENYL)ETHANOL (67.3 mg), with a yield of 91% and an ee value of 88%. | | Chemical Properties | off-white to light yellow crystalline powder | | Uses | Used in the synthesis of chiral boronic acids, which serve as reagents for enantiomeric purity determination of diols by H-NMR. |
| | (S)-1-(2-Bromophenyl)ethanol Preparation Products And Raw materials |
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