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Chemical Structure| 217661-99-9 Chemical Structure| 217661-99-9

Structure of 217661-99-9

Chemical Structure| 217661-99-9

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Product Details of [ 217661-99-9 ]

CAS No. :217661-99-9
Formula : C13H11FN2OS
M.W : 262.30
SMILES Code : CSC1=NC=CC(CC(C2=CC=C(F)C=C2)=O)=N1
MDL No. :MFCD18157689
InChI Key :PQFVLCBGDSDMHY-UHFFFAOYSA-N
Pubchem ID :11747416

Safety of [ 217661-99-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 217661-99-9 ]

* 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 [ 217661-99-9 ]

[ 217661-99-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 14001-63-9 ]
  • [ 116332-54-8 ]
  • [ 217661-99-9 ]
YieldReaction ConditionsOperation in experiment
With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 - 20℃; Under an atmosphere of nitrogen at -78 C., n-BuLi (1.6 M in hexanes, 8.4 mL) is added dropwise to a solution of diisopropylamine (2.9 mL) in anhydrous tetrahyrofuran (40 mL). After stirring for 5 min, a solution of 4-methyl-2-(methylthio)pyrimidine (2.0 g) in anhydrous tetrahydrofuran (20 mL) is added and stirring continued for a further 30 min at -78 C., whereupon a solution <strong>[116332-54-8]4-fluoro-N-methoxy-N-methylbenzamide</strong> (2.8 g) in anhydrous tetrahyrofuran (20 mL) is added. The solution is allowed to warm to room temperature and then poured into a mixture of ethyl acetate and water. The layers are separated, the aqueous extracted with ethyl acetate and the combined organic phases dried over sodium sulfate. Filtration and evaporation of the solvent followed by tituration of the residue with a mixture of diethyl ether and hexanes (1:10) furnishes the title compound, 73 (3.1 g). The compound obtained in this step shows the following mass spectral data: LC/MS: C13H11FN2OS requires 262.1; observed M/Z 263.2 [M+H]+. RT 4.81 min
  • 2
  • [ 214834-18-1 ]
  • [ 217661-99-9 ]
  • [ 917808-08-3 ]
 

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