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[ CAS No. 887268-22-6 ]

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Chemical Structure| 887268-22-6
Chemical Structure| 887268-22-6
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CAS No. :887268-22-6 MDL No. :MFCD04116324
Formula : C8H8BrFO Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :219.05 g/mol Pubchem ID :2769416
Synonyms :

Safety of [ 887268-22-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 887268-22-6 ]

  • Upstream synthesis route of [ 887268-22-6 ]
  • Downstream synthetic route of [ 887268-22-6 ]

[ 887268-22-6 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 77771-03-0 ]
  • [ 74-88-4 ]
  • [ 887268-22-6 ]
YieldReaction ConditionsOperation in experiment
84%
Stage #1: With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5 h;
Stage #2: at 0 - 20℃; for 1 h;
To a solution of (3-bromo-4-fluorophenyl)methanol (5.00 g, 24.4 mmol) in N,N-anhydrous N,N-dimethylformamide (50 mL) was added a 60percent suspension of sodium hydride in mineral oil (1.37 g, 34.2 mmol) in portions at 0° C., and the mixture was stirred at 0° C. for 30 minutes. To it was then added iodomethane (4.15 g, 29.3 mmol) at 0° C. The mixture was allowed to warm to ambient temperature and stirred for 1 h. The reaction was quenched by addition of water (200 mL) and extracted with ethyl acetate (3×200 mL). The combined organic layers were washed with brine (50 mL), dried over anhydrous sodium sulfate, and filtered. Concentration of the filtrate in vacuo and purification of the residue by column chromatography, eluting with 2 to 5percent of ethyl acetate in petroleum ether, afforded the title compound as a colorless oil (4.50 g, 84percent yield): 1H NMR (400 MHz, CDCl3) δ7.57 (dd, J=6.4, 2.0 Hz, 1H), 7.28-7.23 (m, 1H), 7.11 (t, J=8.0 Hz, 1H), 4.42 (s, 2H), 3.41 (s, 3H).
Reference: [1] Patent: US2018/162868, 2018, A1, . Location in patent: Paragraph 1534-1535
[2] Patent: US2004/220194, 2004, A1, . Location in patent: Page 23
[3] Patent: US2005/239795, 2005, A1, . Location in patent: Page/Page column 20
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  • [ 67-56-1 ]
  • [ 866862-23-9 ]
  • [ 887268-22-6 ]
Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 20, p. 7299 - 7317
[2] Patent: WO2010/92043, 2010, A1, . Location in patent: Page/Page column 65
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Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 20, p. 7299 - 7317
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