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HRID50332

反应详情

EQUATION

反应方程式

HRID 50332 的结构方程式

REACTANTS

反应物

4
结构：OO
HCID784

Hydrogen peroxide

H2O2

结构：CCCN(CCC(=O)OCC)C(=O)c1ccc2c(c1)nc(CSc1ccc(C(=N)N)cc1)n2C.Cl
HCID18412411

未命名化合物

结构：CCCN(CCC(=O)OCC)C(=O)c1ccc2c(c1)nc(CS(=O)c1ccc(C(=N)N)cc1)n2C.Cl
HCID18412697

未命名化合物

结构：CCO.CCOC(C)=O
HCID21584252

未命名化合物

PRODUCTS

生成物

1
结构：CCCN(CCC(=O)OCC)C(=O)c1ccc2c(c1)nc(CS(=O)(=O)c1ccc(C(=N)N)cc1)n2C.Cl
HCID18412681

未命名化合物

收率 95%

AUXILIARIES

试剂、催化剂与溶剂

1
结构：O=CO
溶剂HCID284

Formic acid

CH2O2

PROCEDURE

实验过程

A solution of 0.40 g (0.70 mmol) of 1-methyl-2-[(4-amidinophenyl)thiomethyl]benzimidazol-5-yl-carboxylic acid-N-(n-propyl)-N-(2-ethoxycarbonylethyl)amide hydrochloride in 10 mL of formic acid was mixed with 2 mL of 30% hydrogen peroxide solution and the mixture was stirred for 16 hours at room temperature. Then the solvent was distilled off in vacuo, whereupon the desired compound was obtained as a beige solid (contaminated with some 1-methyl-2-[(4-amidinophenyl)sulfinylmethyl]benzimidazol-5-yl-carboxylic acid-N-(n-propyl)-N-(2-ethoxycarbonylethyl)amide hydrochloride). Yield: 95% of theory, C25H31N6O5S (513.62); Rf value: 0.50 (silica gel; ethyl acetate/ethanol/1N hydrochloric acid=50:45:5); EKA mass spectrum: (M+H)+=514.

WORKUP

后处理

  1. distillationThen the solvent was distilled off in vacuo, whereupon the desired compound
  2. customwas obtained as a beige solid (