Hydrochloric Acid → 2-Methyl-2,5,6,7,8,9-hexahydro-1,2,7-triaza-benzocyclohepten-3-one hydrochloride

Reaction equation

[ClH:1].C(OC([N:9]1[CH2:15][CH2:14][C:13]2[N:16]=[N:17][C:18](C3C=CC=CC=3)=C[C:12]=2[CH2:11][CH2:10]1)=O)(C)(C)C.[O:26]1[CH2:31][CH2:30]OCC1>>[ClH:1].[CH3:18][N:17]1[N:16]=[C:13]2[CH2:14][CH2:15][NH:9][CH2:10][CH2:11][C:12]2=[CH:30][C:31]1=[O:26]

Participants

Reactant 3

HCID 313Hydrochloric Acid

HCID 312751,4-Dioxane2×

HCID 866860543-Phenyl-5,6,8,9-tetrahydro-1,2,7-triaza-benzocycloheptene-7-carboxylic acid tert-butyl ester

Product 1

HCID 866860602-Methyl-2,5,6,7,8,9-hexahydro-1,2,7-triaza-benzocyclohepten-3-one hydrochloride

Procedure

40 mL dioxane solution of hydrogen chloride was added to 5.5 g 3-phenyl-5,6,8,9-tetrahydro-1,2,7-triaza-benzocycloheptene-7-carboxylic acid tert-butyl ester in 40 mL dioxane at 5° C. The reaction was stirred over night. The solvent was removed and co-evaporated with ethyl acetate to yield 3.7 g of the desired product. (M+H)+: 180, Rt: 7.84 min (method AE)