HRID981214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4837

Piperazine

C4H10N2

结构：CCn1cc(C(=O)O)c(=O)c2cc3cc(F)c(Cl)cc3nc21

HCID14700555

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCNCC4)cc3nc21

HCID14700565

未命名化合物

结构：CCn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCNCC4)cc3nc21.O.O.O

HCID67925859

未命名化合物

收率 222%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1049

Pyridine

C5H5N

PROCEDURE

实验过程

1-Ethyl-7-fluoro-8-(1-piperazinyl)-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine-3-carboxylic acid is prepared under the conditions of Reference Example 5, but starting from 1.6 g of 8-chloro-1-ethyl-7-fluoro-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine-3-carboxylic acid and 4.3 g of piperazine in 20 cm3 of pyridine. After recrystallizing 3 times from, in total, 300 cm3 of dimethylformamide, 0.94 g of 1-ethyl-7-fluoro-8-(1-piperazinyl)-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine-3-carboxylic acid trihydrate is obtained in the form of a yellow solid melting at 320°-322° C.

WORKUP

后处理

customAfter recrystallizing 3 times from, in total, 300 cm3 of dimethylformamide

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52e52c10a8114001b3a5d3d818e0ef11
来源数据集: uspto-grants-1991_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04990515
来源说明: uspto-grants-1991_02

反应 SMILES

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