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Chemical Structure| 379228-58-7 Chemical Structure| 379228-58-7

Structure of 379228-58-7

Chemical Structure| 379228-58-7

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Product Details of [ 379228-58-7 ]

CAS No. :379228-58-7
Formula : C8H4F2N2O
M.W : 182.13
SMILES Code : FC1=C2C(=CC(=C1)F)N=CNC2=O
MDL No. :MFCD11100783
InChI Key :DIQRRDUOMDYXDK-UHFFFAOYSA-N
Pubchem ID :135510687

Safety of [ 379228-58-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 379228-58-7 ]

* 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 [ 379228-58-7 ]

[ 379228-58-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 126674-77-9 ]
  • [ 379228-58-7 ]
  • 2
  • [ 290-87-9 ]
  • [ 126674-77-9 ]
  • [ 379228-58-7 ]
YieldReaction ConditionsOperation in experiment
With piperidine; In methanol; at 70℃; for 24h;Product distribution / selectivity; A portion (0.5 g) of the 2: 1 mixture of 2-amino-4,6-difluorobenzonitrile and 4-amino-2,6-difluorobenzonitrile described in Example 1 was purified by column chromatography on silica using increasingly polar mixtures of methylene chloride and methanol as eluent. There was thus obtained 2-amino-4,6-difluorobenzonitrile (0.15 g). A mixture of the material so obtained, concentrated aqueous sulphuric acid (80%; 4 ml) and water (1 ml) was heated to30 1000C for 15 hours. The resultant solution was cooled to ambient temperature, diluted with water and basified by the addition of 1OM aqueous sodium hydroxide solution and washed with ethyl acetate (10 ml). The resultant aqueous solution was neutralised by the addition of dilute aqueous hydrochloric acid solution and extracted with ethyl acetate (20 ml). The EPO <DP n="54"/>organic layer was dried over magnesium sulphate and evaporated. There was thus obtained <strong>[126674-77-9]2-amino-4,6-difluorobenzoic acid</strong> as a colourless solid (0.11 g; 97% HPLC purity using Method B, retention time 6.87 minutes); NMR Spectrum: (DMSOd6) 6.25 (m, IH), 6.4 (m, IH). A mixture of the material so obtained, 1,3,5-triazene (0.044 g), methanol (4 ml) and piperidine (0.038 ml) was heated to 7O0C for 24 hours. The resultant mixture was cooled to ambient temperature and evaporated. Diethyl ether (3 ml) and ethyl acetate (1 ml) were added and the resultant solid was isolated and washed with diethyl ether (1 ml). There was thus obtained 5,7-difluoro-3,4-dihydroquinazolin-4-one (0.048 g).
  • 3
  • [ 126674-77-9 ]
  • [ 379228-58-7 ]
  • C8H6FN3O [ No CAS ]
 

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