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Chemical Structure| 1240518-41-5 Chemical Structure| 1240518-41-5

Structure of 1240518-41-5

Chemical Structure| 1240518-41-5

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Product Details of [ 1240518-41-5 ]

CAS No. :1240518-41-5
Formula : C8H5F2NO
M.W : 169.13
SMILES Code : N#CC1=C(OC)C=C(F)C=C1F
MDL No. :MFCD20486220

Safety of [ 1240518-41-5 ]

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

Application In Synthesis of [ 1240518-41-5 ]

* 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 [ 1240518-41-5 ]

[ 1240518-41-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 124-41-4 ]
  • [ 96606-37-0 ]
  • [ 1240518-41-5 ]
  • [ 123843-66-3 ]
YieldReaction ConditionsOperation in experiment
In methanol; at 0 - 20℃; Intermediate 502,4-Difluoro-6-(methyloxy)benzonitrile and 2,6-difluoro-4-(methyloxy)benzonitrile; A solution of 2,4,6-trifluorobenzonitrile (10 g, 63.7 mmol) in methanol (30 mL) was treated dropwise at 0 C. with 30% sodium methoxide solution in methanol (12.13 mL, 63.7 mmol). The resulting mixture was stirred at room temperature for 2 h. The reaction mixture was evaporated in vacuo and the crude solid obtained was partitioned between water (100 mL) and EtOAc (100 mL). The organic layer was separated and the aqueous one was further extracted with EtOAc (100 mL). The combined organic solutions were washed with water (100 mL) and brine (100 mL), dried through an hydrophobic frit, and concentrated under reduced pressure. The sample was loaded in cyclohexane and dichloromethane (1:1) to a 750 g silica cartridge, and purified by chromatography on Flashmaster II eluting with 0-100% methyl tert-butyl ether-cyclohexane over 40 min. The appropriate fractions were combined and evaporated in vacuo to give a mixture of the expected product (2,4-difluoro-6-(methyloxy)benzonitrile) and its regioisomer (2,6-difluoro-4-(methyloxy)benzonitrile) (1:1) LCMS (System A) RT=0.92 min, 0.95 min, ES+ve m/z 170 (M+H)+.
  • 2
  • [ 34486-06-1 ]
  • [ 1240518-41-5 ]
  • 4-(6-(trifluoromethyl)pyridin-2-yloxy)-2-fluoro-6-methoxybenzonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 130℃; for 0.166667h;Microwave irradiation; A mixture of 2,4-difluoro-6-methoxybenzonitrile(0.200g, 1.183mmol), 2-hydroxy-6- trifluoromethylpyridine(0.231g, 1.419mmol), potassium carbonate(0.196g, 1.419mmol), and NMP(2mL), were heated via microwave for 10minutes at 130C. LCMS shows the desired product. The crude reaction was used in the next step without purification.
 

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