HRID2190589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2761178

ethyl 4-(piperazin-1-yl)benzoate

C13H18N2O2

HCID59317969

未命名化合物

结构：CCOC(=O)c1ccc(N2CCN(c3ccc(C(=O)Nc4ccc(C)c(I)c4)cn3)CC2)cc1

HCID59318063

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N2CCN(c3ccc(C(=O)Nc4cc(F)cc(I)c4)cn3)CC2)cc1

HCID59318161

未命名化合物

PROCEDURE

实验过程

4-{4-[5-(3-Fluoro-5-iodo-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid ethyl ester was prepared from 6-chloro-N-(3-fluoro-5-Iodo-phenyl)-nicotinamide and 4-(piperazin-1-yl)-benzoic acid ethyl ester following a method similar to the one described in the synthesis of 4-{4-[5-(3-iodo-4-methyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid ethyl ester above. The product was isolated after suspension in small volume of EtOAc filtration and a wash with CH3CN. HRMS m/z calcd for C25H24N4O3FI [M+H]+: 575.0950. Found: 575.0947.

WORKUP

后处理

customThe product was isolated after suspension
filtrationin small volume of EtOAc filtration
washa wash with CH3CN

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89735c87745a4297b5f0d4e0d2500da7
来源数据集: uspto-grants-2012_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08324385B2
来源说明: uspto-grants-2012_12

反应 SMILES

Cl[C:2]1[CH:18]=[CH:17][C:5]([C:6]([NH:8][C:9]2[CH:14]=[C:13]([I:15])[CH:12]=[C:11]([F:16])[CH:10]=2)=[O:7])=[CH:4][N:3]=1.[CH2:19]([O:21][C:22](=[O:35])[C:23]1[CH:28]=[CH:27][C:26]([N:29]2[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]2)=[CH:25][CH:24]=1)[CH3:20].C(OC(=O)C1C=CC(N2CCN(C3C=CC(C(=O)NC4C=CC(C)=C(I)C=4)=CN=3)CC2)=CC=1)C>>[CH2:19]([O:21][C:22](=[O:35])[C:23]1[CH:24]=[CH:25][C:26]([N:29]2[CH2:30][CH2:31][N:32]([C:2]3[CH:18]=[CH:17][C:5]([C:6](=[O:7])[NH:8][C:9]4[CH:14]=[C:13]([I:15])[CH:12]=[C:11]([F:16])[CH:10]=4)=[CH:4][N:3]=3)[CH2:33][CH2:34]2)=[CH:27][CH:28]=1)[CH3:20]