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Chemistry
Organic Building Blocks
Aryls
2-(4-Bromo-2-fluorophenyl)-2-methylpropanenitrile
Chemistry
Organic Building Blocks
Aryls
Bromides Fluorinated Building Blocks Nitriles

[ CAS No. 749928-77-6 ] {[proInfo.proName]}

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Chemical Structure| 749928-77-6
Chemical Structure| 749928-77-6
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CAS No. :749928-77-6 MDL No. :MFCD11846958
Formula : C10H9BrFN Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 242.09 Pubchem ID :-
Synonyms :

Safety of [ 749928-77-6 ]

Signal Word: Class:
Precautionary Statements: UN#:
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Application In Synthesis of [ 749928-77-6 ]

* 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 [ 749928-77-6 ]

[ 749928-77-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 114897-91-5 ]
  • [ 74-88-4 ]
  • [ 749928-77-6 ]
YieldReaction ConditionsOperation in experiment
99% With sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide; at 0℃; for 0.5h; To a slurry of sodium hydride (60% dispersion in mineral oil, 0.82 g, 20.6 mmol) in DMF (20 mL) cooled to 0 C was added a solution of <strong>[114897-91-5](4-bromo-2-fluoro-phenyl)-acetonitrile</strong> (2.0 g, 9.35 mmol) from Step 1 above, dissolved in THF (10 mL). The reaction was stirred till gas evolution ceased, and then iodomethane (1.3 mL, 20.6 mmol) was added slowly. The reaction was stirred for 30 minutes, and then diluted with 100 mL EtOAc. The solids were removed by filtration, and the organic layer was washed with 100 mL water. The organic layer was dried over MgSO4, and then filtered. The mother liquor was concentrated by rotary evaporation, and the product was distilled under high vacuum (0.3 torr, 45 C). Yield: 2.25 g, 99%. %. 1H NMR (CDCIa) 8: 2.81 (s, 3H), 2.88 (s, 3H), 7.20 - 7.25 (m, 3H).
77% With sodium hydride; In DMF (N,N-dimethyl-formamide); at 0 - 20℃; for 3h; To a solution of Mel (3.2 mL, 49.3 mmol) in anhydrous DMF (82 mL) at 0 C was added NaH (60%, 2.0 g), followed by (4-bromo-2-fluorophenyl) acetonitrile (3.5 g, 16.4 mmol). The mixture was slowly warmed up to room temperature and stirred for 3 hours. The reaction was quenched by the addition of saturated NH4CI and extracted with EtOAc (3 x 150 mL). The combined organic extracts were washed with brine, dried with NA2SO4 and evaporated to dryness. The mixture was purified by flash column chromatography (0-20 % EtOAc in hexanes) to give the product (3. 0 g, 77% yield).'H NMR (300 MHz, CDC13) B : 1.78 (s, 6 H), 7.26-7. 42 (m, 3 H).
77% With sodium hydride; In DMF (N,N-dimethyl-formamide); at 0 - 20℃; for 3h; To a solution of Mel (3.2 mL, 49.3 mmol) in anhydrous DMF (82 mL) at 0 C. was added NaH (60%, 2.0 g), followed by <strong>[114897-91-5](4-bromo-2-fluorophenyl)acetonitrile</strong> (3.5 g, 16.4 mmol). The mixture was slowly warmed up to room temperature and stirred for 3 hours. The reaction was quenched by the addition of saturated NH4Cl and extracted with EtOAc (3×150 mL). The combined organic extracts were washed with brine, dried with Na2SO4 and evaporated to dryness. The mixture was purified by flash column chromatography (0-20% EtOAc in hexanes) to give the product (3.0 g, 77% yield). 1H NMR (300 MHz, CDCl3) delta: 1.78 (s, 6H), 7.26-7.42 (m, 3H).
Reference： [1]Patent: WO2006/18725,2006,A1 .Location in patent: Page/Page column 172
[2]Patent: WO2004/74270,2004,A2 .Location in patent: Page 130
[3]Patent: US2005/176701,2005,A1 .Location in patent: Page/Page column 58
[4]Journal of Medicinal Chemistry,2007,vol. 50,p. 3969 - 3972
[5]Patent: WO2013/40863,2013,A1 .Location in patent: Page/Page column 57; 100; 140
  • 2
  • [ 114897-91-5 ]
  • [ 80-48-8 ]
  • [ 749928-77-6 ]
Reference： [1]Organic Process Research and Development,2006,vol. 10,p. 814 - 821

Tags: 749928-77-6; 2-(4-Bromo-2-fluorophenyl)-2-methylpropanenitrile; Fluorinated Building Blocks

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