HRID1073617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66057

2-Methylpiperazine

C5H12N2

结构：O=C(O)c1cn(C2CC2)c2nc3cc(Cl)c(F)cc3cc2c1=O

HCID14700556

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2cc3nc4c(cc3cc2F)c(=O)c(C(=O)O)cn4C2CC2)CCN1.CC1CN(c2cc3nc4c(cc3cc2F)c(=O)c(C(=O)O)cn4C2CC2)CCN1.O

HCID67925863

未命名化合物

收率 61.5%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1049

Pyridine

C5H5N

PROCEDURE

实验过程

The reaction is carried out under the conditions of Reference Example 1 but starting from 1 g of 8-chloro-1-cyclopropyl-7-fluoro-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine-3-carboxylic acid and 3 g of 2-methylpiperazine in 10 cm3 of pyridine. The pure product is obtained after a supplementary purification by recrystallization from 200 cm3 of dimethylformamide. 0.5 g of 1-cyclopropyl-7-fluoro-8-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-benzo[b][1,8]-naphthyridine-3-carboxylic acid hemihydrate is obtained in the form of a yellow solid melting at 343° C.

WORKUP

后处理

customThe pure product is obtained
customafter a supplementary purification
customby recrystallization from 200 cm3 of dimethylformamide

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00445ef443b34c8484ad8853e2534b8f
来源数据集: uspto-grants-1990_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04970213
来源说明: uspto-grants-1990_11

反应 SMILES

Cl[C:2]1[C:3]([F:23])=[CH:4][C:5]2[C:6]([CH:22]=1)=[N:7][C:8]1[N:9]([CH:19]3[CH2:21][CH2:20]3)[CH:10]=[C:11]([C:16]([OH:18])=[O:17])[C:12](=[O:15])[C:13]=1[CH:14]=2.[CH3:24][CH:25]1[CH2:30][NH:29][CH2:28][CH2:27][NH:26]1>N1C=CC=CC=1>[OH2:15].[CH:19]1([N:9]2[C:8]3[N:7]=[C:6]4[CH:22]=[C:2]([N:29]5[CH2:28][CH2:27][NH:26][CH:25]([CH3:24])[CH2:30]5)[C:3]([F:23])=[CH:4][C:5]4=[CH:14][C:13]=3[C:12](=[O:15])[C:11]([C:16]([OH:18])=[O:17])=[CH:10]2)[CH2:21][CH2:20]1.[CH:19]1([N:9]2[C:8]3[N:7]=[C:6]4[CH:22]=[C:2]([N:29]5[CH2:28][CH2:27][NH:26][CH:25]([CH3:24])[CH2:30]5)[C:3]([F:23])=[CH:4][C:5]4=[CH:14][C:13]=3[C:12](=[O:15])[C:11]([C:16]([OH:18])=[O:17])=[CH:10]2)[CH2:21][CH2:20]1