반응 #685025

ord-aee99967065542aba06771e23cfe24c9

반응 방정식

O=C1CCCC(=O)C1
1,3-cyclohexanedione
Cl.NCC(=O)CCC(=O)O
5-aminolevulinic acid hydrochloride
CC(=O)[O-].[Na+]
sodium acetate
O=C1Cc2ccccc2N1
indolinone
O=C(O)CCc1c[nH]c2c1C(=O)CCC2
3-carboxyethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole

용매

반응 조건

온도
100°CELSIUS
상세 조건
See reaction.notes.procedure_details.

실험 절차

The route shown in Scheme 1 below exemplifies synthesis of the indolinone compounds of the present invention. A reaction mixture of 1,3-cyclohexanedione (1), 5-aminolevulinic acid hydrochloride (2), sodium acetate, and H2O is heated at 100° C. for 16 h to give 3-carboxyethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole (3). A solution of 3 in ethanol (100 mL) is added with sulfuric acid. The resulting reaction mixture is refluxed for 12 h to provide 3-(3-ethoxy-3-oxopropyl)-4-oxo-4,5,6,7-tetrahydro-1H-indole (4) as yellow solids. Trimethylorthoformate is then added to a solution (47 mL) containing 4 in trifluoroacetic acid at 0° C. The reaction mixture thus formed is stirred at 0° C. for 30 min, warmed up to room temperature, and stirred for 2.0 h. The mixture is then added with ethyl acetate, water, and NaOH. The organic layer is collected, washed with saturated aqueous NaHCO3, dried over MgSO4 (s), and concentrated under reduced pressure. The oily residue is purified to give 3-(3-ethoxy-3-oxopropyl)-2-formyl-4-oxo-4,5,6,7-tetrahydro-1H-indole (5) as yellow solids. Next, a mixture of 5 and an indolin-2-one (6) is added into EtOH and piperidine. The resulting solution is refluxed for 12 h. The resultant precipitate is filtered and washed with EtOH to provide the corresponding (Z)-3-((3-(3-ethoxy-3-oxopropyl)-4-oxo-4,5,6,7-tetrahydro-1H-indol-2-yl)methylene)indolin-2-one (7). To obtain the corresponding carboxylic acid (8), 3.0 N aqueous NaOH is added into a solution of 7 in EtOH; the resulting mixture is refluxed for 2 h and cooled to room temperature; the solution is then acidified with 6 N HCl to pH 3.0; and the resultant precipitate is filtered and washed with MeOH. To afford the corresponding sodium salt (9), a mixture of aqueous NaOH, MeOH, and 8 can be stirred and heated to boiling; 2-propanol can then be slowly added to the mixture; and the solution can be stirred for 12 h.

출처

DOI: 10.6084/m9.figshare.5104873.v1특허: US07897602B2uspto-grants-2011_03