2-Fluoro-5-methylphenyl isocyanate → N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(3-chloro-4-fluorophenyl)urea

HRID 1159455ノート

反応式

HRID 1159455 の反応式
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[N:12][CH:11]=[C:10]3[N:14]([CH3:18])[N:15]=[C:16]([NH2:17])[C:9]=23)=[CH:4][CH:3]=1.[Cl:19][C:20]1[CH:25]=[C:24]([N:26]=[C:27]=[O:28])[CH:23]=[CH:22][C:21]=1[F:29].FC1C=CC(C)=CC=1N=C=O>>[NH2:17][C:16]1[C:9]2[C:10](=[CH:11][N:12]=[CH:13][C:8]=2[C:5]2[CH:4]=[CH:3][C:2]([NH:1][C:27]([NH:26][C:24]3[CH:23]=[CH:22][C:21]([F:29])=[C:20]([Cl:19])[CH:25]=3)=[O:28])=[CH:7][CH:6]=2)[N:14]([CH3:18])[N:15]=1

参加物

4

反応物 3

HCID 27333772-Fluoro-5-methylphenyl isocyanateHCID 27346323-Chloro-4-fluorophenyl isocyanateHCID 686444744-(4-Amino-phenyl)-1-methyl-1H-pyrazolo[3,4-c]pyridin-3-ylamine

生成物 1

HCID 11517151N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(3-chloro-4-fluorophenyl)urea

実験手順

The title compound was prepared using the procedure described in Example 1E using the product from Example 6A and 2-chloro-1-fluoro-4-isocyanato-benzene instead of the product from Example 1D and 1-fluoro-2-isocyanato-4-methyl-benzene. MS (ESI(+)) m/e 411 (M+H)+; 1H NMR (300 MHz, DMSO-D6) δ ppm 3.92 (s, 3H) 4.61-4.72 (m, 2H) 7.32-7.37 (m, 2H) 7.47 (d, J=8.82 Hz, 2H) 7.63 (d, J=8.82 Hz, 2H) 7.79-7.84 (m, 1H) 7.94 (s, 1H) 8.87 (s, 1H) 8.95 (s, 1H) 8.96 (s, 1H).

出典と根拠

ORDレコード
ord-1b3f44accb7f4c59884ebb17428c3dac
出典データセット
uspto-grants-2010_10
特許番号
US07812166B2

反応ノート

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