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Chemical Structure| 473416-81-8 Chemical Structure| 473416-81-8

Structure of 473416-81-8

Chemical Structure| 473416-81-8

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Product Details of [ 473416-81-8 ]

CAS No. :473416-81-8
Formula : C8H4FN3
M.W : 161.14
SMILES Code : FC1=C2C=NNC2=CC=C1C#N
MDL No. :MFCD09743858
InChI Key :WGOKYACZRGAYOZ-UHFFFAOYSA-N
Pubchem ID :22260631

Safety of [ 473416-81-8 ]

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

Application In Synthesis of [ 473416-81-8 ]

* 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.

  • Downstream synthetic route of [ 473416-81-8 ]

[ 473416-81-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 473416-81-8 ]
  • [ 1041481-59-7 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid; water; acetic acid; at 110.0℃; for 4.0h; To 1.65 g of 4-fluoro-1H-indazole-5-carbonitrile obtained by Production example 85, 8 mL of glacial acetic acid, 8 mL of water and 16 mL of concentrated sulfuric acid were added and stirred at 110C for 4 hours. After allowing the reaction solution to cool, 150 mL of ice water was added, and the precipitated carboxylic acid was collected by filtration. Under ice cooling, to a solution of the obtained carboxylic acid in N,N-dimethylformamide 12 mL-tetrahydrofuran 40 mL, a solution containing excess diazomethane in diethyl ether was added, and stirred at this temperature for 45 minutes. After distilling off the solvent under reduced pressure, the residue was dissolved in 100 mL of ethyl acetate, washed successively with saturated aqueous sodium hydrogen carbonate, water and saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated, to afford 1.98 g of the title compound as bright yellow crystals.1H-NMR ( 400 MHz, DMSO-D6 ) delta 3.87 ( 3H, s ), 7.45 ( 1H, d, J = 8.8 Hz ), 7.82 ( 1H, dd, J = 6.8, 8.8 Hz ), 8.36 ( 1H, s ), 13.70 ( 1H, s )
 

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