4-Acetamidophenylboronic acid
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4-Acetamidophenylboronic acid
structure -
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CAS No:
101251-09-6
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Formula:
C8H10BNO3
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Chemical Name:
4-Acetamidophenylboronic acid
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Synonyms:
P-ACETAMIDOPHENYLBORONIC ACID;TIMTEC-BB SBB000202;4-ACETAMIDOBENZENEBORONIC ACID;4-ACETAMINOPHENYLBORONIC ACID;4-ACETAMIDOPHENYLBORONIC ACID;4-ACETAMIDBENZENEBORONIC ACID;4-ACETYLAMINOPHENYLBORONIC ACID;4-Acetamidophenylboronic acid, 97+%
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CAS No:
Characteristics
69.6
Gray-tan Powder
1.2±0.1 g/cm3
215-220 °C(lit.)
1.553
85 g/L (70 ºC)
Refrigerator (+4°C)
Safety Information
NONH for all modes of transport
3
24/25
Xi
Irritant
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301
|Danger|H301 (11.11%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 9 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Acetamidophenylboronic acid Use and Manufacturing
To a three-necked flask was added 13.7 g (0.1 mol) of 4-aminobenzeneboronic acid and 100 mL of trichloromethane, After sufficiently stirring, the mixture was cooled to 5 °C, and then 23.4 g (0.3 mol) of acetyl chloride was added dropwise, The reaction was stirred at 40 °C for 3 h, 150 mL of water was added, the solid was washed with stirring, filtered and dried, To give 14 g of white or off-white solid powder 4-acetamidophenylboronic acid in a yield of 78.2percent.General procedure: To a solution of substituted phenylboronic acid (3.87 mmol) in toluene/ethanol (50/50, 40 mL), 5-bromofuran-2-alsehyde (600 mg, 3.43 mmol), potassium carbonate (947.96 mg, 6.86 mmol) aq. solution (10.3 mL water), and tetrakis(triphenyphosphine)palladium(0) (35.78 mg, 0.03 mmol) were added slowly, after which the reaction mixture was stirred at 90 C. The mixture was acidified by 6 N hydrogen chloride solution, and extracted with dichloromethane. The organic layer was washed with brine, dried (MgSO4) and, filtered. The solvent was concentrated under reduced pressure to yield compound 10, 5(4-carboxaminophenyl)furan-2-aldehyde. Yield 60%; 1H NMR (300 MHz, DMSO-d6) delta: 9.65 (s, 1H), 8.11 (s, 1H), 8.02-7.94 (m, 4H), 7.69 (d, J = 3.7 Hz, 1H), 7.50 (s, 1H), 7.42 (d, J = 3.7 Hz, 1H).
Computed Properties
Molecular Weight:178.98
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:179.0753733
Monoisotopic Mass:179.0753733
Topological Polar Surface Area:69.6
Heavy Atom Count:13
Complexity:178
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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