Реакция #78635

ord-f7c34277914a476a8b0287e68251d72e

Уравнение реакции

O=P(Cl)(Cl)Cl
phosphorus oxychloride
CCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1
3-nitro-4-methylaminobenzenesulfonic acid-N-phenyl-N-(2-ethoxycarbonylethyl)amide
[H][H]
hydrogen
N#Cc1ccc(NCC(=O)O)cc1
N-(4-cyanophenyl)glycine
CCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2C
1-Methyl-2[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-sulfonic acid-N-phenyl-N-(2-ethoxycarbonylethyl)amide

Растворители

Условия реакции

Подробные условия
See reaction.notes.procedure_details.

Обработка

  1. 1
    ДругоеThe resulting crude 3-amino-4-methylaminobenzenesulfonic acid-N-phenyl-N-(2-ethoxycarbonylethyl)amide was taken up in 30 mL of phosphorus oxychloride, without purification
  2. 2
    Температураthe mixture was refluxed for two hours
  3. 3
    Другоеwas destroyed
  4. 4
    Экстракцияextracted three times with 30 mL of ethyl acetate
  5. 5
    ДругоеAfter evaporation of the solvent
  6. 6
    Другоеthe crude product was purified by column chromatography (100 g silica gel; eluant: cyclohexane/ethyl acetate=2:3)

Методика

2.54 g (6.2 mmol) of 3-nitro-4-methylaminobenzenesulfonic acid-N-phenyl-N-(2-ethoxycarbonylethyl)amide were hydrogenated at room temperature under 5 bar hydrogen pressure over palladium/charcoal (10%) in a mixture of 75 mL of ethanol and 75 mL of dichloromethane. The resulting crude 3-amino-4-methylaminobenzenesulfonic acid-N-phenyl-N-(2-ethoxycarbonylethyl)amide was taken up in 30 mL of phosphorus oxychloride, without purification, then 1.1 g (6.2 mmol) of N-(4-cyanophenyl)glycine were added and the mixture was refluxed for two hours. After cooling to room temperature, the reaction mixture was added to about 70 mL of water with cooling and in this way the excess phosphorus oxychloride was destroyed. The resulting solution was neutralized with solid sodium carbonate and extracted three times with 30 mL of ethyl acetate. After evaporation of the solvent, the crude product was purified by column chromatography (100 g silica gel; eluant: cyclohexane/ethyl acetate=2:3). Yield: 860 mg (26.8% of theory), C27H27N5O3S (517.6); melting point: 188° C.-191° C.; Rf value: 0.52 (silica gel; dichloromethane/methanol=9:1); EKA mass spectrum: (M+H)+=518; (M+Na)+=540.

Источник

DOI: 10.6084/m9.figshare.5104873.v1Патент: US06710055B2uspto-grants-2004_03