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Chemical Structure| 331273-58-6 Chemical Structure| 331273-58-6

Structure of 331273-58-6

Chemical Structure| 331273-58-6

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Product Details of [ 331273-58-6 ]

CAS No. :331273-58-6
Formula : C13H19BO3
M.W : 234.10
SMILES Code : OC1=CC(B2OC(C)(C)C(C)(C)O2)=CC=C1C
MDL No. :MFCD16994282

Safety of [ 331273-58-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 331273-58-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 331273-58-6 ]

[ 331273-58-6 ] Synthesis Path-Downstream   1~2

  • 2
  • [ 36138-76-8 ]
  • [ 73183-34-3 ]
  • [ 331273-58-6 ]
YieldReaction ConditionsOperation in experiment
50.9% With bis-triphenylphosphine-palladium(II) chloride; potassium acetate; at 115℃; for 2.5h;Inert atmosphere; 2-Methyl-5-(4,4,5,5-tetramethyl-1 ,3,2-dioxaborolan-2-yl)phenol A suspension of <strong>[36138-76-8]5-bromo-2-methylphenol</strong> (3 g, 16.04 mmol), 4,4,4',4',5,5,5',5'-octamethyl-2,2'- bi(1 ,3,2-dioxaborolane) (4.72 g, 18.61 mmol), and potassium acetate (6.03 g, 61 .4 mmol) was degassed with a stream of nitrogen for 10 minutes after which time (PPh3)2PdCI2 (0.664 g, 0.946 mmol) was added. The resulting suspension was heated to 1 15 C (bath temp, reflux) during which time the yellow colored suspension turned black for 2.5 h. The reaction mixture was filtered through celite using ethyl acetate to wash the celite. The dark colored solution was washed with water (2x), brine (1x). The organic layer was concentrated and purified with silica gel chromatography to give the title compound (1 .91 g, 8.16 mmol, 50.9 % yield) LC-MS: mlz 235.1 (M+H)+, 0.99 min (ret. time).
 

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