2-Isopropylphenylboronic acid
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2-Isopropylphenylboronic acid
structure -
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CAS No:
89787-12-2
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Formula:
C9H13BO2
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Chemical Name:
2-Isopropylphenylboronic acid
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Synonyms:
O-ISOPROPYLPHENYLBORONIC ACID;2-ISOPROPYLBENZENEBORONIC ACID;2-ISOPROPYLPHENYLBORONIC ACID;2-ISOPROPYLPHENYBORONIC ACID;2-Cumylboronic acid~2-Isopropylphenylboronic acid;Boronic acid, [2-(1-methylethyl)phenyl]- (9CI);2-Isopropylbenzeneboronicacid,97%;2-Isopropylphebylboronic acid
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CAS No:
Safety Information
IRRITANT
36/37/38-36-22
26-36/37/39-36
Xi,Xn
Irritant
|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|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Isopropylphenylboronic acid Use and Manufacturing
General procedure: Under a nitrogen protection, a 250 ml three-necked flask with a dropping funnel was charged with magnesium (2.9 g, 1.2 times) and tetrahydrofuran (20 ml) and dibromoethane (1.9 g);Then add o-methylbromobenzene (17.1 g, 0.1 mol), Triisopropyl borate (28.8 g, 1.5 times) and tetrahydrofuran (50 ml) were used as solvents.Heat to 40 C to activate the magnesium powder, and then slowly add the mixed solution in the dropping funnel to control the speed to a reaction temperature not exceeding 60 C. After the addition is complete, stir the reaction until the magnesium has almost disappeared.To the dropping funnel was further added trimethyl borate (21.0 g, 2 times), and the mixture was heated under reflux for 6 hours.Stop heating, cool to room temperature, and hydrolyze with 5% dilute hydrochloric acid to pH The THF solvent is recovered by distillation. As the solvent decreases, the product precipitates.Orthomethylphenylboronic acid can be obtained by recrystallization in methanol / water, 11.5 g, yield 85%.Under an argon atmosphere, in a Schlenk bottle, 1 mmol of bis[3, 5-bis(trifluoromethyl)phenyl](2-bromoacenaphthylen-1-yl)phosphane and 1.2 mmol of
suzuki reaction
Computed Properties
Molecular Weight:164.01
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:164.1008598
Monoisotopic Mass:164.1008598
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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