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Chemical Structure| 21101-79-1 Chemical Structure| 21101-79-1

Structure of 21101-79-1

Chemical Structure| 21101-79-1

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Product Details of [ 21101-79-1 ]

CAS No. :21101-79-1
Formula : C9H10O2S
M.W : 182.24
SMILES Code : O=C(O)C1=CC=CC=C1SCC
MDL No. :MFCD00094046

Safety of [ 21101-79-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-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 [ 21101-79-1 ]

* 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 [ 21101-79-1 ]

[ 21101-79-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 21101-79-1 ]
  • [ 89415-54-3 ]
  • [ 1383944-56-6 ]
YieldReaction ConditionsOperation in experiment
Production Example 42A mixture of 5-bromo-N2-methylpyridin-2 , 3-diamine (0.70 g) , 2-ethylsulfanylbenzoic acid (0.66 g) , SC (0.80 g) , HOBt (23 mg) , and pyridine (20 ml) was stirred under reflux at 120 C for 30 minutes. After the reaction mixture was allowed to stand overnight, the mixture was stirred under reflux at 120 C for 9.5 hours again. Into the reaction mixture cooled to room temperature, water was poured under ice-cooling, and extracted with ethyl acetate. The organic layer was washed with water and saturated brine, dried over sodium sulfate, and concentrated under reduced pressure. A mixture of the resulting residue and acetic anhydride (7 ml) was stirred under reflux at 140 C for 1 hour. Aqueous sodium hydroxide solution was added to the reaction mixture cooled to room temperature to neutralize, and extracted with ethyl acetate. The organic layer was washed with water and saturated brine, dried over sodium sulfate, and concentrated under reduced pressure. The resulting residue was subjected to silica gel column chromatography to give 0.60 g of 6-bromo-2- (2- ethylsulfanylphenyl ) -3-methyl-3H-imidazo [ 4 , 5-b] pyridine (hereinafter referred to as Present Compound 42) .Present Compound 421H-NMR (CDC13) delta : 8.47 (lH,d), 8.22 (lH,d), 7.54-7 (2H,m), 7.45-7.42 (lH,m), 7.37-7.32 (lH,m), 3.71 (3H, 2.86 (2H, q ) , 1.23 (3H,t)
 

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