3,4-METHYLENEDIOXYPHENYLBORONIC ACID
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3,4-METHYLENEDIOXYPHENYLBORONIC ACID
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CAS No:
94839-07-3
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Formula:
C7H7BO4
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Chemical Name:
3,4-METHYLENEDIOXYPHENYLBORONIC ACID
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Synonyms:
BENZO[D][1,3]DIOXOL-5-YLBORONIC ACID;3,4-METHYLENEDIOXYBENZENEBORONIC ACID;3,4-METHYLENEDIOXYPHENYLBORONIC ACID;1,3-BENZODIOXOL-5-YLBORONIC ACID;RARECHEM AH PB 0145;TIMTEC-BB SBB003898;1,3-Benzodioxole-5-boronic acid;3,4-Methylenedioxyphenylboroni
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CAS No:
3,4-METHYLENEDIOXYPHENYLBORONIC ACID Basic Attributes
165.94
166.043747
5523347
-0
DTXSID10370261
2932999099
Characteristics
58.9
-0.90490
White to off-white Powder
1.4±0.1 g/cm3
224-229 °C(lit.)
347.3±52.0°C at 760 mmHg
163.9±30.7 °C
1.590
0-6°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
37/39-26
Xi
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 9 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4-METHYLENEDIOXYPHENYLBORONIC ACID Use and Manufacturing
Butyl lithium (BuLi) (5.6 mL, 1.40 equiv) was added dropwise to a solution of 5-bromobenzo[d][1, 3]dioxole (2 g, 9.95 mmol, 1.00 equiv) and triisopropyl borate (1.96 g, 14.00 mmol, 1.40 equiv) in THF (20 mL) at -78° C. in a 100-mL 3-necked round-bottom flask under an inert atmosphere of nitrogen.
suzuki reaction
Computed Properties
Molecular Weight:165.94
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:166.0437389
Monoisotopic Mass:166.0437389
Topological Polar Surface Area:58.9
Heavy Atom Count:12
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,4-METHYLENEDIOXYPHENYLBORONIC ACID
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