HRID2099319

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4875

Potassium iodide

HCID7751

Ethyl chloroacetate

C4H7ClO2

HCID11430

Potassium Carbonate

CK2O3

结构：COc1c(N2CC(C)NC(C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cn(CC(F)(F)F)c12.Cl

HCID86623862

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CN1C(C)CN(c2c(F)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4Cl)cn(CC(F)(F)F)c3c2OC)CC1C

HCID76607269

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6342

Acetonitrile

C2H3N

PROCEDURE

实验过程

810.0 mg (1.29 mmol) of N-(2,4-dichlorobenzyl)-7-[(3RS,5SR)-3,5-dimethylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydroquinoline-3-carboxamide hydrochloride (Example 38A), 396.5 mg (3.24 mmol) of ethyl chloroacetate, 64.5 mg (0.39 mmol) of potassium iodide and 804.9 mg (5.82 mmol) of potassium carbonate are stirred under reflux in 20 ml of acetonitrile overnight. The Work-up takes place in analogy to the general working instructions 1, and after purification via preparative RP-HPLC (method 5) 1050 mg of the target compound are obtained.

WORKUP

后处理

customafter purification via preparative RP-HPLC (method 5) 1050 mg of the target compound
customare obtained

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a8901b900474ae392c580a53e80e00c
来源数据集: uspto-grants-2009_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07569563B2
来源说明: uspto-grants-2009_08

反应 SMILES

Cl.[Cl:2][C:3]1[CH:39]=[C:38]([Cl:40])[CH:37]=[CH:36][C:4]=1[CH2:5][NH:6][C:7]([C:9]1[C:18](=[O:19])[C:17]2[C:12](=[C:13]([O:29][CH3:30])[C:14]([N:21]3[CH2:26][CH:25]([CH3:27])[NH:24][CH:23]([CH3:28])[CH2:22]3)=[C:15]([F:20])[CH:16]=2)[N:11]([CH2:31][C:32]([F:35])([F:34])[F:33])[CH:10]=1)=[O:8].Cl[CH2:42][C:43]([O:45][CH2:46][CH3:47])=[O:44].[I-].[K+].C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[CH2:46]([O:45][C:43](=[O:44])[CH2:42][N:24]1[CH:23]([CH3:28])[CH2:22][N:21]([C:14]2[C:13]([O:29][CH3:30])=[C:12]3[C:17]([C:18](=[O:19])[C:9]([C:7]([NH:6][CH2:5][C:4]4[CH:36]=[CH:37][C:38]([Cl:40])=[CH:39][C:3]=4[Cl:2])=[O:8])=[CH:10][N:11]3[CH2:31][C:32]([F:34])([F:35])[F:33])=[CH:16][C:15]=2[F:20])[CH2:26][CH:25]1[CH3:27])[CH3:47]