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Structure of 15400-57-4

Chemical Structure| 15400-57-4

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Product Details of [ 15400-57-4 ]

CAS No. :15400-57-4
Formula : C8H10N2O3S
M.W : 214.24
SMILES Code : O=C(C1=CN=C(SC)N=C1OC)OC
MDL No. :MFCD27974394
InChI Key :NZIYNNXIVRNAKZ-UHFFFAOYSA-N
Pubchem ID :12828997

Safety of [ 15400-57-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 15400-57-4 ]

* 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 [ 15400-57-4 ]

[ 15400-57-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 67-56-1 ]
  • [ 84332-06-9 ]
  • [ 15400-57-4 ]
YieldReaction ConditionsOperation in experiment
4.18 g With thionyl chloride; at 85℃; for 3h;Cooling with ice; In a mixture of 8.38 g of 4-methoxy-2- (methylthio) pyrimidine-5-carboxylic acid and 90 mL of methanolUnder ice cooling, 9 mL of thionyl chloride was added, and the mixture was stirred at 85 C. for 3 hours. The resulting mixture was allowed to cool to room temperature and concentrated. To the obtained residue was added saturated aqueous sodium bicarbonate solution, and the mixture was extracted with ethyl acetate. The resulting organic layer was dried over anhydrous sodium sulfate and concentrated to give 4.18 g of Intermediate C-1 shown below.
4.18 g With thionyl chloride; at 85℃; for 3h;Cooling with ice; To a mixture of <strong>[84332-06-9]4-methoxy-2-(methylthio)pyrimidine-5-carboxylic acid</strong> 8.38 g and methanol 90 mL was added thionyl chloride 9 mL under ice cooling, and the mixture was stirred at 85 C. for 3 hours. The resulting mixture was cooled to room temperature, and concentrated. To the resulting residue was added aqueous saturated sodium hydrogen cardonate solution, and the mixture was extracted with ethyl acetate. The resulting organic layer was dried over anhydrous sodium sulfate, and concentrated to obtain intermediate compound C-1 shown below 4.18 g. Intermediate compound C-1: 1H-NMR (CDCl3) δ: 8.82 (1H, s), 4.10 (3H, s), 3.89 (3H, s), 2.59 (3H, s).
 

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Related Functional Groups of
[ 15400-57-4 ]

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Related Parent Nucleus of
[ 15400-57-4 ]

Pyrimidines

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