4-(2-Amino-4-methyl-phenylsulfanyl)-phenol → 4-[4-(3-Bromo-benzyloxy)-2-(pyrimido[4,5-d]pyrimidin-4-ylamino)-phenylsulfanyl]-phenol

HRID 607279ノート

反応式

HRID 607279 の反応式
[C:1]([C:3]1[C:4]([N:9]=[CH:10][N:11](C)C)=[N:5][CH:6]=[N:7][CH:8]=1)#[N:2].N[C:15]1[CH:20]=[C:19]([O:21][CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[C:25]([Br:29])[CH:24]=2)[CH:18]=[CH:17][C:16]=1[S:30][C:31]1[CH:36]=[CH:35][C:34]([OH:37])=[CH:33][CH:32]=1.NC1C=C(C)C=CC=1SC1C=CC(O)=CC=1.C(C1C(N=CN(C)C)=NC(SCC)=NC=1)#N>>[Br:29][C:25]1[CH:24]=[C:23]([CH:28]=[CH:27][CH:26]=1)[CH2:22][O:21][C:19]1[CH:20]=[CH:15][C:16]([S:30][C:31]2[CH:36]=[CH:35][C:34]([OH:37])=[CH:33][CH:32]=2)=[C:17]([NH:2][C:1]2[C:3]3[C:4](=[N:5][CH:6]=[N:7][CH:8]=3)[N:9]=[CH:10][N:11]=2)[CH:18]=1

参加物

5

反応物 4

HCID 668081234-(2-Amino-4-methyl-phenylsulfanyl)-phenolHCID 668082684-[2-Amino-4-(3-bromo-benzyloxy)-phenylsulfanyl]-phenol2 回HCID 66808339N'-(5-Cyano-pyrimidin-4-yl)-N,N-dimethyl-formamidine2 回HCID 66808651N'-(5-Cyano-2-ethylsulfanyl-pyrimidin-4-yl)-N,N-dimethyl-formamidine

生成物 1

HCID 602048124-[4-(3-Bromo-benzyloxy)-2-(pyrimido[4,5-d]pyrimidin-4-ylamino)-phenylsulfanyl]-phenol

実験手順

The product from Example 194A was reacted with the product from Example 15A according to the procedure from Example 156C substituting the product from Example 15A for the product from Example 6c and substituting the product from Example 194A for the product from Example 156B to provide the crude product which was purified by HPLC with NH4OAc to provide the title compound. 1H NMR (300 MHz, DMSO-D6) δ ppm: 5.12 (s, 2H), 6.64 (d, J=8.82 Hz, 2H), 6.93-7.04 (m, 1H), 7.10 (d, J=8.82 Hz, 2H), 7.14-7.23 (m, 2H), 7.36 (t, J=7.72 Hz, 1H), 7.43-7.49 (m, 1H), 7.54 (dt, J=7.81, 1.61 Hz, 1H), 7.65 (d, J=1.47 Hz, 1H), 9.04 (m, 1H), 9.63 (s, 1H), 10.29 (m, 1H); MS (ESI−) m/z 531 (M−H)−.

後処理

  1. customto provide the crude product which
  2. customwas purified by HPLC with NH4OAc

出典と根拠

ORDレコード
ord-c1a1017425d64141a254674cb979c0fd
出典データセット
uspto-grants-2011_03
特許番号
US07915411B2

反応ノート

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