2-BROMO-5-METHOXYPHENYLBORONIC ACID
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2-BROMO-5-METHOXYPHENYLBORONIC ACID
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CAS No:
89694-44-0
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Formula:
C7H8BBrO3
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Chemical Name:
2-BROMO-5-METHOXYPHENYLBORONIC ACID
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Synonyms:
2-BROMO-5-METHOXYPHENYLBORONIC ACID;(2-bromo-5-methoxyphenyl)boronic acid;2-Bromo-5-methoxybenzene boronic acid;MFCD06659859;(2-Bromo-5-methoxy)benzeneboronic acid;ACMC-209r2f;AMTB841;SCHEMBL645367;CTK5G3396;DTXSID70649526
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CAS No:
Safety Information
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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.
2-BROMO-5-METHOXYPHENYLBORONIC ACID Use and Manufacturing
Under an argon atmosphere, To a 300 mL 2-diameter eggplant-shaped flask, 3-methoxyphenylboronic acid (12)(9.12 g, 60.0 mmol), Triphenylphosphine sulfide (932 mg, 6.00 mmol), Dichloromethane (200 mL) was added, This was stirred to make a homogeneous solution.In contrast, N-bromosuccinimide (13.0 g, 72.0 mmol) was added, And the mixture was stirred at room temperature for 2 days.To the reaction mixture was added a saturated aqueous solution of sodium thiosulfate to stop the reaction, followed by extraction with dichloromethane (100 mL × 3).The combined organic layer was washed with saturated brine and dried over sodium sulfate.After filtration, concentration under reduced pressure gave a crude product.Purification by silica gel column chromatography (290 g, n-hexane / acetone = 1/1) gave 2-bromo-5-methoxyphenylboronic acid (8b) (8.45 g, 36.6 mmol, yield 61.0 percent) Was obtained.
Computed Properties
Molecular Weight:230.85
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:229.97499
Monoisotopic Mass:229.97499
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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2-BROMO-5-METHOXYPHENYLBORONIC ACID
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