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221352-10-9

221352-10-9 Structure

221352-10-9 Structure
IdentificationBack Directory
[Name]

3,3-diMethylbenzo[c][1,2]oxaborol-1(3H)-ol
[CAS]

221352-10-9
[Synonyms]

3,3-Dimethylbenzo[c][1,2]oxaborol-1(3H)
1-hydroxy-3,3-dimethyl-2,1-benzoxaborole
3,3-DIMETHYL-3H-BENZO[C][1,2]OXABOROL-1-OL
3,3-diMethylbenzo[c][1,2]oxaborol-1(3H)-ol
3,3-dimethyl-1,3-dihydro-2,1-benzoxaborol-1-ol
1,3-Dihydro-1-hydroxy-3,3-diMethyl-2,1-benzoxaborole
3,3-DIMETHYLBENZO[C][1,2]OXABOROL-1(3H)-OL(WXC01846)
[Molecular Formula]

C9H11BO2
[MDL Number]

MFCD13180474
[MOL File]

221352-10-9.mol
[Molecular Weight]

161.99
Chemical PropertiesBack Directory
[Boiling point ]

242.5±43.0 °C(Predicted)
[density ]

1.10±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

7.04±0.40(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2934999090
Hazard InformationBack Directory
[Synthesis]

To a solution of 2-(2-bromo-phenyl)-propane-2-ol (4.0 g, 18.6 mmol) in anhydrous THF (60 mL) under argon was slowly added n-butyl lithium (15 mL, 2.5 M). The mixture was stirred at -78° C for 2 h, and then triisopropylborate (5.5 mL, 24.2 mmol) was added to the mixture. The mixture was heated to room temperature and stirred for 12 h and then cooled to 0° C. Hydrochloric acid (10 mL, 1N) was added to the mixture until pH<5. The reaction system was then stirred at RT for 1 h. Until the solution was separated, the aqueous layer was extracted twice with ethyl acetate. The organic layers were combined, dried with anhydrous sodium sulfate, and filtered. The filtrate was concentrated under reduced pressure to afford a yellow oil. The oil was purified by chromatography (silica, EtOAc: hexanes,1:3) to afford 3,3-diMethylbenzo[c][1,2]oxaborol-1(3H)-ol which is a white solid.
3,3-diMethylbenzo[c][1,2]oxaborol-1(3H)-ol
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