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Chemical Structure| 576-23-8 Chemical Structure| 576-23-8

Structure of 576-23-8

Chemical Structure| 576-23-8

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Product Details of [ 576-23-8 ]

CAS No. :576-23-8
Formula : C8H9Br
M.W : 185.06
SMILES Code : CC1=C(C)C(Br)=CC=C1
MDL No. :MFCD00000069

Safety of [ 576-23-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 576-23-8 ]

* 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.

  • Upstream synthesis route of [ 576-23-8 ]
  • Downstream synthetic route of [ 576-23-8 ]

[ 576-23-8 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 576-23-8 ]
  • [ 102308-43-0 ]
References: [1] Journal of Organic Chemistry, 1987, vol. 52, # 1, p. 129 - 134.
[2] Journal of Organic Chemistry, 1987, vol. 52, # 1, p. 129 - 134.
  • 2
  • [ 576-23-8 ]
  • [ 71942-14-8 ]
YieldReaction ConditionsOperation in experiment
22% With (η5-indenyl)(η4-1,5-cyclooctadiene)iridium(I); 1,2-bis-(diphenylphosphino)ethane; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In cyclohexane at 100℃; for 50 h; Sealed tube In a sealed tube DPPE (0.431 g, 1.08 mmol), 4,4,5, 5-tetramethyl-l,3,2-dioxaborolane (1.73 g, 13.5 mmol), (l,5-Cyclooctadiene)-eta5- indenyl)iridium(I) (0.449 g, 1.08 mmol) and l-bromo-2,3-dimethylbenzene (1.00 g, 5.40 mmol) were placed in cyclohexane (6 mL) and was heated to 100°C for 50hr. The reaction was concentrated down and brought up in acetone (5 mL) and oxzone (3.32 g, 5.40 mmol) was added and stirred for 10 min. The reaction was quenched with saturated NaHS03 and was extracted with DCM (3x20 ml). The extracts were washed with brine, water and concentrated. The residue was passed through a plug of silica eluting with DCM to provide 3-bromo-4,5- dimethylphenol (238 mg, 1.18 mmol, 22 percent yield).
References: [1] Patent: WO2017/201161, 2017, A1, . Location in patent: Paragraph 0830.
[2] Journal of the American Chemical Society, 2003, vol. 125, # 26, p. 7792 - 7793.
 

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