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Chemical Structure| 41280-65-3 Chemical Structure| 41280-65-3

Structure of 41280-65-3

Chemical Structure| 41280-65-3

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Product Details of [ 41280-65-3 ]

CAS No. :41280-65-3
Formula : C11H15BrO
M.W : 243.14
SMILES Code : COC1=CC=C(C(C)(C)C)C=C1Br
MDL No. :MFCD17214261
Boiling Point : No data available
InChI Key :KBJMBOZJLNXKDI-UHFFFAOYSA-N
Pubchem ID :12657723

Safety of [ 41280-65-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 41280-65-3 ]

* 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 [ 41280-65-3 ]

[ 41280-65-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 41280-65-3 ]
  • [ 3535-88-4 ]
  • [ 1114569-65-1 ]
  • 2
  • [ 5419-55-6 ]
  • [ 41280-65-3 ]
  • [ 128733-85-7 ]
YieldReaction ConditionsOperation in experiment
74% With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 0℃; for 4.5h;Inert atmosphere; n-Butyllithium in hexane (2.5 M, 18.1 mL, 45.24 mmol) was added dropwise to a solution of 2-bromo-4-(tert-butyl)-1-methoxybenzene (10.0 g, 41.13 mmol) and triisopropyl borate (11.39 mL, 49.35 mmol) in tetrahydrofuran (90 mL) at -78 C. under nitrogen. The reaction mixture was stirred at -78 C. for 3 hours then allowed to warm slowly to 0 C. over 90 minutes. The reaction was then quenched by the addition of water (90 mL) and the tetrahydrofuran removed under reduced pressure. The resulting aqueous suspension was partitioned between diethyl ether (80 mL) and 1.0 M aqueous sodium hydroxide solution (100 mL). The aqueous phase was separated, cooled to 0 C. then acidified to pH 1 by the addition of concentrated hydrochloric acid. The resulting white suspension was stood at 0 C. for 15 minutes then filtered washing the solid product with water and cold hexane to give (5-(tert-butyl)-2-methoxyphenyl)boronic acid (6.349 g, 74% yield) as a white crystalline solid. HPLC/MS Rt=5.04 min, m/z 209.1 (M+H+).
74% With n-butyllithium; In tetrahydrofuran; hexane; at -78℃; for 3h;Inert atmosphere; n-Butyllithium in hexane (2.5 M, 18.1 mL, 45.24 mmol) was added dropwise to a solution of 2-bromo-4-(tert-butyl)-1-methoxybenzene (10.0 g, 41.13 mmol) and triisopropyl borate (11.39 mL, 49.35 mmol) in tetrahydrofuran (90 mL) at -78 C. under nitrogen. The reaction mixture was stirred at -78 C. for 3 hours then allowed to warm slowly to 0 C. over 90 minutes. The reaction was then quenched by the addition of water (90 mL) and the tetrahydrofuran removed under reduced pressure. The resulting aqueous suspension was partitioned between diethyl ether (80 mL) and 1.0 M aqueous sodium hydroxide solution (100 mL). The aqueous phase was separated, cooled to 0 C. then acidified to pH 1 by the addition of concentrated hydrochloric acid. The resulting white suspension was stood at 0 C. for 15 minutes then filtered washing the solid product with water and cold hexane to give (5-(tert-butyl)-2-methoxyphenyl)boronic acid (6.349 g, 74% yield) as a white crystalline solid. [0157] HPLC/MS Rt=5.04 min, m/z 209.1 (M+H+).
 

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