HRID1181679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11093

1-(Chloromethyl)-2-methylbenzene

C8H9Cl

HCID11430

Potassium Carbonate

CK2O3

结构：Cn1c(=O)[nH]c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c1=O

HCID136334113

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1Cn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc21

HCID58980981

未命名化合物

CONDITIONS

反应条件

温度: 80 °C

PROCEDURE

实验过程

1-(chloromethyl)-2-methylbenzene (0.045 ml) and potassium carbonate (0.6 g) were added to a solution of 5-methyl-2-(1-naphthylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione (2 ml). The mixture was heated at 80° C. for 18 hours then cooled to room temperature. Solids removed by filtration and the crude product was purified on preparative HPLC to give the title compound (0.057 g). Mass: 487.87 (M+H).

WORKUP

后处理

temperaturethen cooled to room temperature
customSolids removed by filtration
customthe crude product was purified on preparative HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e049f699c79d419ba37b8ffd2f9eebcf
来源数据集: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07285558B2
来源说明: uspto-grants-2007_10

反应 SMILES

Cl[CH2:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[CH3:9].C(=O)([O-])[O-].[K+].[K+].[CH3:16][N:17]1[C:22](=[O:23])[C:21]2=[C:24]([C:38]3[CH:43]=[CH:42][N:41]=[CH:40][CH:39]=3)[N:25]([CH2:27][C:28]3[C:37]4[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=4)[CH:31]=[CH:30][CH:29]=3)[N:26]=[C:20]2[NH:19][C:18]1=[O:44]>>[CH3:16][N:17]1[C:22](=[O:23])[C:21]2=[C:24]([C:38]3[CH:39]=[CH:40][N:41]=[CH:42][CH:43]=3)[N:25]([CH2:27][C:28]3[C:37]4[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=4)[CH:31]=[CH:30][CH:29]=3)[N:26]=[C:20]2[N:19]([CH2:2][C:3]2[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=2[CH3:9])[C:18]1=[O:44]