HRID49881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

2 次

结构：Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

HCID151194

Vatalanib

C20H15ClN4

HCID444972

Fumaric acid

C4H4O4

PRODUCTS

生成物

结构：Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.O=C(O)/C=C/C(=O)O

HCID131722764

未命名化合物

PROCEDURE

实验过程

A solution of 0.696 g (6 mmol) fumaric acid in 20 ml methanol is added to a hot solution of 1.04 g (3 mmol) 1-(4-chloroanilino)-4-(4-pyridylmethyl)phthalazine in 30 ml methanol. As it cools to 0° C., crystals precipitate out; these are filtered off and recrystallized again from methanol. Title compound is obtained after drying under HV (8 h at 100° C.); m.p. 202° C. (decomp.); ESI-MS: (M+H)+=347.

WORKUP

后处理

customcools to 0° C.
customcrystals precipitate out
filtrationthese are filtered off
customrecrystallized again from methanol

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-720217273ec24baaa27d2dcf3d6b9ebf
来源数据集: uspto-grants-2004_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06710047B2
来源说明: uspto-grants-2004_03

反应 SMILES

[C:1]([OH:8])(=[O:7])/[CH:2]=[CH:3]/[C:4]([OH:6])=[O:5].[Cl:9][C:10]1[CH:33]=[CH:32][C:13]([NH:14][C:15]2[C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3)[C:18]([CH2:25][C:26]3[CH:31]=[CH:30][N:29]=[CH:28][CH:27]=3)=[N:17][N:16]=2)=[CH:12][CH:11]=1.CO>>[C:1]([OH:8])(=[O:7])/[CH:2]=[CH:3]/[C:4]([OH:6])=[O:5].[Cl:9][C:10]1[CH:11]=[CH:12][C:13]([NH:14][C:15]2[C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3)[C:18]([CH2:25][C:26]3[CH:31]=[CH:30][N:29]=[CH:28][CH:27]=3)=[N:17][N:16]=2)=[CH:32][CH:33]=1.[Cl:9][C:10]1[CH:11]=[CH:12][C:13]([NH:14][C:15]2[C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3)[C:18]([CH2:25][C:26]3[CH:31]=[CH:30][N:29]=[CH:28][CH:27]=3)=[N:17][N:16]=2)=[CH:32][CH:33]=1