4-Benzyloxybenzeneboronic acid
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4-Benzyloxybenzeneboronic acid
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CAS No:
146631-00-7
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Formula:
C13H13BO3
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Chemical Name:
4-Benzyloxybenzeneboronic acid
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Synonyms:
RARECHEM AH PB 0041;P-BENZYLOXYPHENYLBORONIC ACID;AKOS BRN-0054;4-BENZYLOXYPHENYLBORONIC ACID;4-BENZYLOXYBENZENEBORONIC ACID;4-Benzyloxyphenylboronic;4-BEZYLOXYPHENYLBORONICACID;4-BENZYLOXYPHENYBORONIC ACID
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CAS No:
Characteristics
49.7
1.20±0.1 g/cm3(Predicted)
198-200 °C
418.9±47.0 °C(Predicted)
207.2±29.3 °C
1.594
0-6°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
37/39-26-36-24/25
Xi,C
Corrosive
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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.
4-Benzyloxybenzeneboronic acid Use and Manufacturing
First, 5.07 g of magnesium and 80 ml of dehydrated tetrahydrofuran were put in an argon-replaced 500 ml flask. Some pieces of iodine were added to the mixture to activate the magnesium. Then, 100 ml of dehydrated tetrahydrofuran containing 45.7 g of 4-bromo-1-benzyloxybenzene obtained from the synthesis (10-a) above was dropped to the resultant mixture while being stirred. After the dropping, the reaction solution was stirred under reflux for 30 minutes, and cooled to -40° C. Then, 60 ml of dehydrated tetrahydrofuran containing 21.66 g of trimetyl borate was dropped to the reaction solution while being stirred. After being left to gradually resume room temperature, the reaction solution was stirred under reflux for 30 minutes. The reaction solution was then cooled to 0° C. again, and after the addition of 200 ml of 10percent sulfuric acid, stirred for one hour. Toluene was added to the resultant solution to separate an organic layer. The organic layer was washed with a saturated brine and dried with sodium sulfate. The solvent was then distilled off. The residue was recrystallized from toluene, to obtain 36.5 g (Y: 92.1percent) of 4-benzyloxyphenylboronic acid.A.
suzuki reaction
Computed Properties
Molecular Weight:228.05
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:228.0957744
Monoisotopic Mass:228.0957744
Topological Polar Surface Area:49.7
Heavy Atom Count:17
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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