3-CHLORO-2-METHOXYPHENYLBORONIC ACID
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3-CHLORO-2-METHOXYPHENYLBORONIC ACID
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CAS No:
179898-50-1
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Formula:
C7H8BClO3
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Chemical Name:
3-CHLORO-2-METHOXYPHENYLBORONIC ACID
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Synonyms:
3-Chloro-2-methoxybenzeneboronicacid;3-CHLORO-2-METHOXYPHENYLBORONIC ACID
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-CHLORO-2-METHOXYPHENYLBORONIC ACID Use and Manufacturing
1-Bromo-3-chloro-2-methoxybenzene(113.2 g, 426.4 mmol) was dissolved in tetrahydrofuran (1000 mL), the temperature was lowered to -78 ° C, and 1.7 M tert-butyllithium (t-BuLi) (251.7 mL, 426.4 mmol) was added slowly. After stirring at the same temperature for 1 hour, triisopropyl borate (B (OiPr) 3) (113.2 mL, 852.4 mmol) was added and stirred for 3 hours while gradually warming to room temperature. To the reaction mixture was added a 2 N aqueous hydrochloric acid solution (800 mL) and the mixture was stirred at room temperature for 1.5 hours. The resulting precipitate was filtered, washed with water and ethyl ether, and vacuum dried. After drying, the product was recrystallized from chloroform and ethyl acetate and dried to obtain (3-chloro-2-methoxyphenyl) boronic acid (89.6 g, yield 91percent; MS: [M + H] + = 230).1-Bromo-3-chloro-2-methoxybenzene (113.2 g, 426.4 mmol)The mixture was dissolved in tetrahydrofuran (1000 mL), the temperature was lowered to -78 ° C, and 1.7 M tert-butyllithium (t-BuLi) (251.7 mL, 426.4 mmol) was added slowly. After stirring at the same temperature for 1 hour, triisopropyl borate (B (OiPr) 3) (113.2 mL, 852.4 mmol) was added and stirred for 3 hours while slowly warming to room temperature. To the reaction mixture was added a 2 N aqueous hydrochloric acid solution (800 mL) and the mixture was stirred at room temperature for 1.5 hours. The resulting precipitate was filtered, washed with water and ethyl ether, and vacuum dried. After drying, recrystallization from chloroform and ethyl acetate and drying afforded (3-chloro-2-methoxyphenyl) boronic acid (89.6 g, yield 91percent;EXAMPLE 217 3-Chloro-2-methoxyphenylboronic Acid (Structure 90 of Scheme XXIV, where REXAMPLE 217 EXAMPLE 217 EXAMPLE 217 EXAMPLE 217
Computed Properties
Molecular Weight:186.40
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:186.0255020
Monoisotopic Mass:186.0255020
Topological Polar Surface Area:49.7
Heavy Atom Count:12
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-CHLORO-2-METHOXYPHENYLBORONIC ACID
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