4-tert-Butylphenylboronic acid
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4-tert-Butylphenylboronic acid
structure -
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CAS No:
123324-71-0
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Formula:
C10H15BO2
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Chemical Name:
4-tert-Butylphenylboronic acid
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Synonyms:
Boronic acid,B-[4-(1,1-dimethylethyl)phenyl]-;Boronic acid,[4-(1,1-dimethylethyl)phenyl]-;B-[4-(1,1-Dimethylethyl)phenyl]boronic acid;4-tert-Butylphenylboronic acid;(p-tert-Butylphenyl)boronic acid;4-tert-Butylbenzeneboronic acid;p-tert-Butylbenzeneboronic acid;4-t-Butylbenzeneboronic acid;[4-(1,1-Dimethylethyl)phenyl]boronic acid;4-t-Butylphenylboronic acid
- Categories:
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CAS No:
Characteristics
40.5
0.66390
white to off-white crystalline powder
1.0±0.1 g/cm3
160 °C @ Solvent: Water
296.7ºC at 760 mmHg
133.2±25.4 °C
1.511
0-6ºC
0mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S37/39-S26
Xi: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 (33.33%): 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 9 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-tert-Butylphenylboronic acid Use and Manufacturing
Compound 4b was synthesized according to the method described for compound 4a Yield was 72.8percent as white solid; m.p. 158–160 °C (lit. [22]: 160 °C). General procedure: To a solution of potassium aryltrifluoroborate (1 mmol) in distilled H2O (4 mL) was added, sequentially, a solution of FeCl3 (8 mg, 0.05 mmol, 5 molpercent) in H2O (1 mL) and imidazole(204 mg, 3 mmol). The resulting colourless solution was stirred at room temperature for 15min. The reaction was then diluted with H2O (5 mL) and extracted with Et2O (3 x 8 mL). Thecombined organic extracts were dried (Na2SO4) and concentrated in vacuo, affording pureproduct without the requirement for further purification.
Computed Properties
Molecular Weight:178.04
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:178.1165099
Monoisotopic Mass:178.1165099
Topological Polar Surface Area:40.5
Heavy Atom Count:13
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 4-tert-Butylphenylboronic acid
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Business licensedTrader Supplier of pharmaceutical intermediates,excipients,plant extracts,food additives,CDMO,fine cheimcals,Octadecanedioic acid,Eicosanedioic AcidInquiryCAS No.: 123324-71-0Grade: Pharmaceutical GradeContent: 99% -
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