1-Acetylpiperazine → 4-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-7-amino-2-methyl-2,3-dihydro-1H-isoindol-1-one

反応式

[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([CH:13]2[CH2:18][CH2:17][CH:16]([N:19]([CH3:21])[CH3:20])[CH2:15][CH2:14]2)=[C:6]2[C:10]=1[C:9](=[O:11])[N:8]([CH3:12])[CH2:7]2.NC1C=CC(C2CCC(=O)CC2)=C2[C:31]=1[C:30](=[O:32])[N:29]([CH3:33])[CH2:28]2.C(N1CCNCC1)(=O)C>>[C:30]([N:29]1[CH2:33][CH2:21][N:19]([CH:16]2[CH2:17][CH2:18][CH:13]([C:5]3[CH:4]=[CH:3][C:2]([NH2:1])=[C:10]4[C:6]=3[CH2:7][N:8]([CH3:12])[C:9]4=[O:11])[CH2:14][CH2:15]2)[CH2:20][CH2:28]1)(=[O:32])[CH3:31]

参加物

反応物 3

HCID 837951-Acetylpiperazine

HCID 672542857-amino-4-[4-(dimethylamino)cyclohexyl]-2-methyl-2,3-dihydro-1H-isoindol-1-one

HCID 672561257-amino-2-methyl-4-(4-oxocyclohexyl)-2,3-dihydro-1H-isoindol-1-one

生成物 1

HCID 672564554-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-7-amino-2-methyl-2,3-dihydro-1H-isoindol-1-one

実験手順

The title product was prepared according to the procedure for Compound 233A using 7-amino-2-methyl-4-(4-oxocyclohexyl)-2,3-dihydro-1H-isoindol-1-one and 1-acetylpiperazine. 1H NMR (CDCl3, 400 MHz): δ=1.80-1.98 (m, 3H), 2.01-2.14 (m, 6H), 2.25 (d, J=19.20 Hz, 1H), 2.42-2.62 (m, 5H), 3.12-3.17 (m, 3H), 3.45-3.70 (m, 4H), 4.28-4.33 (m, 2H), 5.10 (br. s., 2H), 6.58 (d, J=8.08 Hz, 1H), 7.17 (d, J=8.34 Hz, 1H). MS (ES+): m/z 371.26 [MH+] (TOF, polar).