반응 #78571

ord-ae22c94189d44131bdfd4ee1fa7f8119

반응 방정식

CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2C)c1cccc(C)c1
1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(3-methylphenyl)-N-(2-ethoxycarbonylethyl)amide
Cl
hydrochloric acid
CCO
ethanol
O=C([O-])[O-].[NH4+].[NH4+]
ammonium carbonate
→
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1cccc(C)c1.Cl
1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(3-methylphenyl)-N-(2-ethoxycarbonylethyl)amide hydrochloride
수율 79.0%

반응물

CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2C)c1cccc(C)c1
1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(3-methylphenyl)-N-(2-ethoxycarbonylethyl)amide
Cl
hydrochloric acid
CCO
ethanol
O=C([O-])[O-].[NH4+].[NH4+]
ammonium carbonate
—
C29H32N6O3

시약

없음

용매

CCO.ClCCl
dichloromethane ethanol

반응 조건

상세 조건
See reaction.notes.procedure_details.

실험 절차

Prepared analogously to Example 25d from 1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(3-methylphenyl)-N-(2-ethoxycarbonylethyl)amide and ethanolic hydrochloric acid, ethanol, and ammonium carbonate. Yield: 79% of theory, C29H32N6O3 (512.6); Rf value: 0.10 (silica gel; dichloromethane/ethanol=4:1); EKA mass spectrum: (M+H)+=513; (M+H+Na)++=268.

출처

DOI: 10.6084/m9.figshare.5104873.v1특허: US06710055B2uspto-grants-2004_03