1,3-BENZODIOXOL-4-YLMETHANOL
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1,3-BENZODIOXOL-4-YLMETHANOL
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CAS No:
769-30-2
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Formula:
C8H8O3
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Chemical Name:
1,3-BENZODIOXOL-4-YLMETHANOL
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Synonyms:
RARECHEM AL BD 0228;Benzodioxol-4-ylmethanol;1,3-Benzodioxole-4-methanol;1,3-BENZODIOXOL-4-YLMETHANOL;2H-1,3-benzodioxol-4-ylMethanol;(benzo[d][1,3]dioxol-4-yl）methanol;2,3-(Methylenedioxy)benzyl alcohol;4-(Hydroxymethyl)-1,3-benzodioxole;(1,3-Benzodioxol-4-yl)methanol, 2,3-(Methylenedioxy)benzyl alcohol
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CAS No:
Safety Information
24/25
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,3-BENZODIOXOL-4-YLMETHANOL Use and Manufacturing
6.7 g (0.037 mol) of III was dissolved in 50 ml of tetrahydrofuran, 8.6 g (0.223 mol) of sodium borohydride was added, the temperature was raised to 65 degrees Celsius, and the reaction was stirred for 30 minutes. The heating and stirring were stopped, and 8 ml of methanol was slowly added dropwise within 30 minutes. A large amount of bubbles appeared and the reaction was refluxed for 4 hours. The reaction was stopped, quenched with saturated ammonium chloride, filtered, and tetrahydrofuran was distilled off under reduced pressure. Ethyl acetate was added thereto, and the mixture was partitioned and washed with saturated brine, and dried over anhydrous sodium sulfate for 8 hours. The desiccant was removed by filtration and the solvent was evaporated under reduced pressure to give 5.6 g of white oil IV. TLC showed a single spot and was used directly in the lower reaction. The yield was close to 100percent.
Computed Properties
Molecular Weight:152.15
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:152.047344113
Monoisotopic Mass:152.047344113
Topological Polar Surface Area:38.7
Heavy Atom Count:11
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
