B-(3-Chloro-4-methylphenyl)boronic acid
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B-(3-Chloro-4-methylphenyl)boronic acid
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CAS No:
175883-63-3
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Formula:
C7H8BClO2
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Chemical Name:
B-(3-Chloro-4-methylphenyl)boronic acid
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Synonyms:
Boronic acid,B-(3-chloro-4-methylphenyl)-;Boronic acid,(3-chloro-4-methylphenyl)-;B-(3-Chloro-4-methylphenyl)boronic acid;(3-Chloro-4-methylphenyl)boronic acid
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CAS No:
Characteristics
40.5
White Crystalline Powder of Flakes
1.26±0.1 g/cm3(Predicted)
210-216°C
317.3±52.0 °C(Predicted)
145.7±30.7 °C
1.549
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-20/21/22
26-36/37/39-36-24/25
Xi,Xn
Irritant
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 (12.5%): 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|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
B-(3-Chloro-4-methylphenyl)boronic acid Use and Manufacturing
General procedure: To a solution in THF (4 mL) of DIPAB (863 mg, 7.5 mmol) and Mg (182 mg, 7.5 mmol) were added a PhMgBr 1M THF solution (375 μL, 375μmol) at room temperature. After 10 min, 30 mL of anhydrous THF were added followed by the arylbromide (5 mmol). The reaction mixture was cooled down to 0 °C and quenched slowly with 7 mL of MeOH. After 1h, volatile were removed under reduced pressure and the resulting solid was dissolved in 1N HCl/MeOH (7/3). After 1h at room temperature, 100 mL of AcOEt were added, the organic phase was washed with 1N HCl (30 mL) and brine (3×30 mL). Organic phases were concentrated under reduced pressure yielding a solid which was recrystallized from HGeneral procedure: To a solution in THF (4 mL) of DIPAB (863 mg, 7.5 mmol) and Mg (182 mg, 7.5 mmol) were added a PhMgBr 1M THF solution (375 muL, 375mumol) at room temperature. After 10 min, 30 mL of anhydrous THF were added followed by the arylbromide (5 mmol). The reaction mixture was cooled down to 0 °C and quenched slowly with 7 mL of MeOH. After 1h, volatile were removed under reduced pressure and the resulting solid was dissolved in 1N HCl/MeOH (7/3). After 1h at room temperature, 100 mL of AcOEt were added, the organic phase was washed with 1N HCl (30 mL) and brine (3×30 mL). Organic phases were concentrated under reduced pressure yielding a solid which was recrystallized from H2O.Dissolve 1 mmol of
suzuki reaction
Computed Properties
Molecular Weight:170.40
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.0305874
Monoisotopic Mass:170.0305874
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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B-(3-Chloro-4-methylphenyl)boronic acid
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