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Chemical Structure| 58803-78-4 Chemical Structure| 58803-78-4

Structure of 58803-78-4

Chemical Structure| 58803-78-4

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Product Details of [ 58803-78-4 ]

CAS No. :58803-78-4
Formula : C10H9ClN2S
M.W : 224.71
SMILES Code : CCSC1=NC(Cl)=C2C=CC=CC2=N1
MDL No. :MFCD02042768
InChI Key :YXMGMRFURWMKDY-UHFFFAOYSA-N
Pubchem ID :780646

Safety of [ 58803-78-4 ]

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 [ 58803-78-4 ]

* 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 [ 58803-78-4 ]

[ 58803-78-4 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 58803-78-4 ]
  • [ 75-31-0 ]
  • [ 896723-98-1 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In tetrahydrofuran; at 20.0℃; Example 3; Preparation of 4-substituted amine-2-ethylsulfanylquinazoline (formula 1a)4-Chloro-2-ethylsulfanylquinazoline (1.0 g, 4.45 mmol) was dissolved in 40 mL of THF. Triethylamine (TEA; 3 eq, 1.86 mL, 13.35 mmol) and amine (1.5 eq) were added and the mixture was stirred at room temperature overnight. When the starting materials disappeared, THF was removed by distillation under reduced pressure and the target compound was obtained with a yield of 90% by column chromatography (silica gel; 230-400 mesh).
  • 2
  • [ 16802-73-6 ]
  • [ 58803-78-4 ]
YieldReaction ConditionsOperation in experiment
79% Example 2 Preparation of 4-chloro-2-ethylsulfanylquinazoline (formula 2a) To 2-ethylsulfanyl-3H-quinazolino-4-one (formula B; 1.5 g, 7.27 mmol) was slowly added 50 mL of thionyl chloride at 0 C. After adding 2-3 drops of N,N-dimethylformamide, reflux was performed for 3-4 hours. When the starting materials disappeared, thionyl chloride was removed by distillation under reduced pressure. Residual thionyl chloride was washed with a saturated sodium carbonate solution. The mixture was extracted with ethyl acetate and the organic layer was washed with brine and dried with anhydrous magnesium sulfate. The organic solvent was removed by distillation under reduced pressure and the target compound was obtained with a yield of 79% (1.29 g) by column chromatography. 1H NMR (CDCl3, 300 MHz) δ 8.02 (d, J=7.8 Hz, 1H), 7.85 (m, 2H), 7.56 (t, J=7.5 Hz, 1H), 3.29 (q, J=14.4 Hz, 2H), 1.49 (t, J=7.35 Hz, 3H).
  • 3
  • [ 13906-09-7 ]
  • [ 58803-78-4 ]
 

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