3-BroMo-2-Methylbenzyl alcohol
(3-broMo-2-Methylphenyl)Methanol
CAS: 83647-43-2
Molecular Formula: C8H9BrO
3-BroMo-2-Methylbenzyl alcohol - Names and Identifiers
| Name | (3-broMo-2-Methylphenyl)Methanol |
| Synonyms | (3-Bromo-o-tolyl)methanol 3-BroMo-2-Methylbenzyl alcohol (3-broMo-2-Methylphenyl)Methanol 3-Bromo-2-methyl-benzenemethanol |
| CAS | 83647-43-2 |
3-BroMo-2-Methylbenzyl alcohol - Physico-chemical Properties
| Molecular Formula | C8H9BrO |
| Molar Mass | 201.06046 |
| Density | 1.481±0.06 g/cm3(Predicted) |
| Melting Point | 103-104 °C(Solv: benzene (71-43-2)) |
| Boling Point | 286.4±25.0 °C(Predicted) |
| pKa | 14.29±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Use | Application 3-bromo-2-methylbenzyl alcohol is an organic synthesis intermediate and a pharmaceutical intermediate, which can be used in laboratory research and development processes and chemical and pharmaceutical synthesis processes. |
3-BroMo-2-Methylbenzyl alcohol - Upstream Downstream Industry
| Downstream Products | 5-bromo-4-methyl-1H-indole-2-carboxylic acid |
3-BroMo-2-Methylbenzyl alcohol - Uses and synthesis methods
overview
3-Bromo-2-methylbenzyl alcohol is a pharmaceutical intermediate, which can be prepared by esterification of 3-bromo-2-methylbenzoic acid and reduction. It has been reported that 3-bromo-2-methylbenzyl alcohol can be used to prepare a fused ring compound and be used as a PD-1/PD-L1 inhibitor. It has the advantages of high activity, high bioavailability, drug stability, oral administration, etc.
Preparation
step 1: synthesize the compound I-1B dissolve the compound I-1A(10.7g,50mmol) in methanol (100ml), then add 2ml of concentrated sulfuric acid, and the obtained reaction solution reacts overnight at 60 degrees celsius. TLC shows that after the reaction is over, cool to room temperature, spin off methanol, and add saturated ammonium chloride solution (250ml). Extraction with ethyl acetate (150mL × 3), washing the combined organic layer with salt water, then drying with anhydrous sodium sulfate, filtering to remove the desiccant, decompressing, and purifying the residue with silica gel column chromatography (petroleum ether/ethyl acetate = 10/1 (volume ratio V/V)) to obtain compound I-1B(9.9g, light yellow liquid), yield: 87%. MS m/z(ESI):229[M 1].
step 2: the compound I-1C is synthesized by dissolving the compound I-1B(4.56g,20mmol) in anhydrous THF solution (100ml), cooling to 0 degrees celsius, adding LAH(0.8g,20mmol) in batches, maintaining the internal temperature of the reaction solution to be less than 5 degrees celsius, slowly heating to room temperature for 2 hours after adding, TLC shows that after the reaction is finished, cooling to 0 degrees celsius, and dropping 0.8ml of water in turn, 0.8ml of NaOH with a concentration of 15% and 2.4ml of water are added, stirred for 1 hour, filtered, and the obtained filtrate is spin-dried to obtain compound I-1C, namely 3-bromo-2-methylbenzyl alcohol (3.7g, yellow solid), with a yield of 92.4%.
Last Update：2024-04-09 21:01:54
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Product Name: (3-broMo-2-Methylphenyl)Methanol Visit Supplier Webpage Request for quotation
CAS: 83647-43-2
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
CAS: 83647-43-2
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
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Downstream Products for 3-BroMo-2-Methylbenzyl alcohol