HRID1181681

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11430

Potassium Carbonate

CK2O3

HCID88246

Isoxazole, 4-(chloromethyl)-3,5-dimethyl-

C6H8ClNO

结构：Cn1c(=O)[nH]c2nn(Cc3cccc4ccccc34)c(-c3cccc(C(=O)O)c3)c2c1=O

HCID136334115

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C)c1Cn1c(=O)n(C)c(=O)c2c(-c3cccc(C(=O)O)c3)n(Cc3cccc4ccccc34)nc21

HCID58981044

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

CONDITIONS

反应条件

温度: 85 °C

PROCEDURE

实验过程

4-(chloromethyl)-3,5-dimethylisoxazole (0.145 g) was added to a suspension of Resin bound 3-[5-methyl-2-(1-naphthylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid (0.120 g) and potassium carbonate (0.397 g) in dimethylformamide (1 ml). Reaction mixture was shaken at 85° C. for 20 hours. The resin was filtered and washed (3 times) DMF, H2O, DMF, CH2Cl2, MeOH, CH2Cl2, and dried in vacuum to give the subtitle compound.

WORKUP

后处理

customReaction mixture
filtrationThe resin was filtered
washwashed (3 times) DMF, H2O, DMF, CH2Cl2, MeOH, CH2Cl2
customdried in vacuum

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c1d276037f241ebb8bac85f0f991fd6
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[C:4]([CH3:9])=[N:5][O:6][C:7]=1[CH3:8].[CH3:10][N:11]1[C:16](=[O:17])[C:15]2=[C:18]([C:32]3[CH:33]=[C:34]([CH:38]=[CH:39][CH:40]=3)[C:35]([OH:37])=[O:36])[N:19]([CH2:21][C:22]3[C:31]4[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=4)[CH:25]=[CH:24][CH:23]=3)[N:20]=[C:14]2[NH:13][C:12]1=[O:41].C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[CH3:9][C:4]1[C:3]([CH2:2][N:13]2[C:14]3=[N:20][N:19]([CH2:21][C:22]4[C:31]5[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=5)[CH:25]=[CH:24][CH:23]=4)[C:18]([C:32]4[CH:33]=[C:34]([CH:38]=[CH:39][CH:40]=4)[C:35]([OH:37])=[O:36])=[C:15]3[C:16](=[O:17])[N:11]([CH3:10])[C:12]2=[O:41])=[C:7]([CH3:8])[O:6][N:5]=1