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Chemical Structure| 40800-64-4 Chemical Structure| 40800-64-4

Structure of 40800-64-4

Chemical Structure| 40800-64-4

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Product Details of [ 40800-64-4 ]

CAS No. :40800-64-4
Formula : C9H9NOS
M.W : 179.24
SMILES Code : O=C1NC2=C(C=CC=C2)C1SC

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Application In Synthesis of [ 40800-64-4 ]

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  • Downstream synthetic route of [ 40800-64-4 ]

[ 40800-64-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 3325-11-9 ]
  • [ 24424-99-5 ]
  • [ 40800-64-4 ]
YieldReaction ConditionsOperation in experiment
Preparation of 8-dimethylaminomethylene-1-tert-butyloxycarbonyl-1,6-dihydro[1,2,3]triazolo[4,5-e]indol-7-one <strong>[3325-11-9]5-Aminobenzotriazole</strong> (Lancaster Chemical, 10.14 g, 75 mmol) was dissolved in 200 ml of anhydrous DMF under nitrogen and 3.00 g (75 mmol) of sodium hydride (60percent oil dispersion) was added in one portion.hydrogen evolution and mild exothermicity was observed.The reaction was stirred at room temperature for 20 minutes and then cooled in an ice bath.A solution of di-tert-butyldicarbonate (16.4 g, 75 mmol) in 100 ml of anhydrous DMF was added via siphon.Stirring was continued for 2 hrs at ice bath temperature.The solvent was removed by rotary evaporation under high vacuum at 50° C. to give 32 g of viscous liquid.The crude product was dissolved in a minimum volume of chloroform and filtered through a short column of 600 ml silica gel, eluding with 10percent methanol in chloroform.The collected product was evaporated to dryness, redissolved in 400 ml of diethyl ether, and washed three times with water and once with saturated sodium chloride solution.The ether solution was dried over magnesium sulfate and the solvent was removed to give 17.7 g of a mixture of 1- and 3-tert-butyloxycarbonyl-<strong>[3325-11-9]5-aminobenzotriazole</strong> contaminated with approx. 1 g of residual mineral oil.This material was then cyclized to the corresponding 3-methylthio-oxindole by the method of Procedure (Gassman).
 

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