4-(bromomethyl)benzo[d][1,3]dioxole
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4-(bromomethyl)benzo[d][1,3]dioxole
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CAS No:
101417-40-7
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Formula:
C8H7BrO2
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Chemical Name:
4-(bromomethyl)benzo[d][1,3]dioxole
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Synonyms:
4-(Bromomethyl)benzo[d][1,3]dioxole;4-(bromomethyl)-1,3-Benzodioxole;1,3-Benzodioxole, 4-(bromomethyl)-;SCHEMBL2168952;CTK8C3843;DTXSID10626331;2,3-(methylenedioxy)benzyl bromide;BCP25757;ANW-70654;ZINC82046495
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CAS No:
Characteristics
18.5
2.3
1.652±0.06 g/cm3(Predicted)
62-62.5 °C(Solv: ethyl ether (60-29-7))
274.8±19.0 °C(Predicted)
129.8±17.0 °C
1.609
4-(bromomethyl)benzo[d][1,3]dioxole Use and Manufacturing
Dissolve 3.1 ml (0.033 mol) of phosphorus tribromide in 15 ml of ether.At 0 °C, it was slowly dropped into a solution of diethyl ether containing 4.5 g (0.03 mol) of 2, 3-dioxymethylene benzyl alcohol.The reaction was stirred for 3 h. Stop the reaction, add saturated sodium carbonate to quench, separate, and wash with saturated brine.Anhydrous sodium sulfate was dried for 8 h. The desiccant is filtered off and the solvent is distilled off under reduced pressure.The residue was separated by flash silica gel column chromatography eluting with petroleum ether:ethyl acetate (19:1).5.8 g of a yellow oil, V a, yield 90.6percent.Benzo[d][1, 3]dioxo-4-ylmethanol (223 mg, 1.47 mmol)Dissolved in dichloromethane (10 mL), then phosphorus tribromide (0.17 mL, 1.8 mmol) was added dropwise at 0 °C.After the completion of the dropwise addition, the mixture was stirred at room temperature for 3 hours.The reaction was quenched with saturated aqueous sodium bicarbonate and extracted with dichloromethane (50 To a solution of 4-hydroxymethyl-benzo[1 , 3]dioxole (1.00 g, 6.6 mmol) and carbon tetrabromide (3.50 g, 10.5 mmol) in anhydrous tetrahydrofuran (30 ml.) was added at 0
Computed Properties
Molecular Weight:215.04
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:213.96294
Monoisotopic Mass:213.96294
Topological Polar Surface Area:18.5
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
4-(bromomethyl)benzo[d][1,3]dioxole
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