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HRID1396203

反应详情

EQUATION

反应方程式

HRID 1396203 的结构方程式

REACTANTS

反应物

2
结构：CN1CCN(Cc2ccc(N)cc2)CC1
HCID3153996

4-(4-Methylpiperazin-1-ylmethyl)phenylamine

C12H19N3

结构：CN(C)C(=O)c1ccccc1Nc1nc(Cl)ncc1Cl
HCID57974161

未命名化合物

PRODUCTS

生成物

1
结构：CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N(C)C)n3)cc2)CC1
HCID68385049

2-[[5-Chloro-2-[[4-[(4-methyl-1-piperazinyl)methyl]phenyl]amino]-4-pyrimidinyl]amino]-N,N-dimethylbenzamide

C25H30ClN7O

收率 32%

AUXILIARIES

试剂、催化剂与溶剂

1
结构：CO.ClCCl
溶剂HCID21226129

未命名化合物

PROCEDURE

实验过程

The title compound was prepared according to synthesis procedure B described above from 2-((2,5-dichloropyrimidin-4-yl)amino)-N,N-dimethylbenzamide and 4-((4-methylpiperazin-1-yl)methyl)aniline in 32% yield (yellow solid) after flash chromatography (CH2Cl2/CH3OH 99:1 gradually increasing to 95:5). 1H NMR (400 MHz, CDCl3): δ 9.07 (s, 1H), 8.35 (d, 1H J=8.2 Hz), 8.05 (s, 1H), 7.46 (s, 2H, J=8.2 Hz), 7.38 (t, 1H, J=7.8 Hz), 7.29 (d, 1H, J=7.5 Hz), 7.21 (d, 2H, J=8.2 Hz), 7.10 (t, 1H, J=7.5 Hz), 7.01 (s, 1H), 3.45 (s, 2H), 3.11 (s, 3H), 3.04 (s, 3H), 2.43 (bs, 8H), 2.27 (s, 3H); MS (ESI): 480.1 [M+H]+.

WORKUP

后处理

  1. customaccording to synthesis procedure B
  2. temperaturegradually increasing to 95:5)