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| | 3-Chloro-2-methoxyphenylboronic acid Basic information |
| Product Name: | 3-Chloro-2-methoxyphenylboronic acid | | Synonyms: | 3-Chloro-2-methoxybenzeneboronicacid;3-Chloro-2-methoxybenzeneboronic acid 99%;Boronic acid, (3-chloro-2-methoxyphenyl)- (9CI);Boronic acid, B-(3-chloro-2-methoxyphenyl)-;3-Chloro-2-methoxyphenylboronic acid (contains varying amounts of Anhydride);3-Chloro-2-methoxyphenylboronic acid | | CAS: | 179898-50-1 | | MF: | C7H8BClO3 | | MW: | 186.4 | | EINECS: | | | Product Categories: | Boronic Acid;API intermediates | | Mol File: | 179898-50-1.mol |  |
| | 3-Chloro-2-methoxyphenylboronic acid Chemical Properties |
| Boiling point | 356.9±52.0 °C(Predicted) | | density | 1.32±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | pka | 7.58±0.58(Predicted) | | form | solid | | color | Off-white |
| | 3-Chloro-2-methoxyphenylboronic acid Usage And Synthesis |
| Uses | 3-Chloro-2-methoxyphenylboronic Acid is a reagent used in the synthesis of a selective 17β-HSD1 inhibitor in the therapeutic treatment of endometriosis. | | Synthesis | General procedure for the synthesis of 3-chloro-2-methoxyphenylboronic acid from 1-bromo-3-chloro-2-methoxybenzene and triisopropyl borate: 1-bromo-3-chloro-2-methoxybenzene (113.2 g, 426.4 mmol) was dissolved in tetrahydrofuran (1000 mL), and cooled to -78°C. At the same temperature 1.7 M tertiary-butyllithium (t-BuLi) was added slowly to a tert-butyl lithium (t-BuLi) ) to a hexane solution (251.7 mL, 426.4 mmol). The reaction mixture was stirred at -78°C for 1 h. Triisopropyl borate (B(OiPr)3) (113.2 mL, 852.4 mmol) was added, followed by gradual warming of the reaction mixture to room temperature and continued stirring for 3 hours. Upon completion of the reaction, 2 N aqueous hydrochloric acid (800 mL) was added to the mixture and stirred at room temperature for 1.5 hours. The resulting precipitate was collected by filtration, washed sequentially with water and ether and dried under vacuum. The crude product was recrystallized by a solvent mixture of chloroform and ethyl acetate and dried to give 3-chloro-2-methoxyphenylboronic acid as a white solid (89.6 g, 91% yield; Mass Spectrometry (MS): [M + H]+ = 230. | | References | [1] Patent: KR2018/10165, 2018, A. Location in patent: Paragraph 0207-0210 |
| | 3-Chloro-2-methoxyphenylboronic acid Preparation Products And Raw materials |
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