4-Isopropylbenzeneboronic acid
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4-Isopropylbenzeneboronic acid
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CAS No:
16152-51-5
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Formula:
C9H13BO2
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Chemical Name:
4-Isopropylbenzeneboronic acid
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Synonyms:
RARECHEM AH PB 0150;P-ISOPROPYLPHENYLBORONIC ACID;4-CUMYLBORONIC ACID;4-ISOPROPYLPHENYLBORONIC ACID;4-ISOPROPYLBENZENEBORONIC ACID;AKOS BRN-0071;4-Cumylboronic acid~4-Isopropylphenylboronic acid;4-Isopropylphebylboronic acid
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CAS No:
Characteristics
40.5
0.48980
1.04±0.1 g/cm3(Predicted)
110-112°C
285.9±33.0 °C(Predicted)
126.7±25.4 °C
1.513
0.00127mmHg at 25°C
Safety Information
IRRITANT
36/37/38-43-22
26-36/37/39-36/37-36
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 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Isopropylbenzeneboronic acid Use and Manufacturing
To a stirred solution of 4-isopropyl-phenylamine (1 g, 7.4 mmol) in acetonitrile (30 mL) is added teri-butylnitrite (1.3 mL, 11.1 mmol) and bispinacolatodiboron (2.24 g, 8.8 mmol) at 0 °C. The mixture is heated at 80 °C for 2 hours. The reaction mixture is evaporated under reduced pressure and purified by silica gel column chromatography (combiflash) eluting in 4percent EtOAc/hexanes to give the title compound as a brown solid (1.2 g, 99.8percent).To a stirred solution of 4-isopropyl-phenylamine (1 g, 7.4 mmol) in acetonitrile (30 mL) is added tert-butylnitrite (1.3 mL, 11.1 mmol) and bispinacolatodiboron (2.24 g, 8.8 mmol) at 0° C.
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:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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