HRID1670142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2778656

4-Chloro-3-fluorophenylboronic acid

C6H5BClFO2

反应SMILES：CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(Br)cc(C(=O)N(C)C)c2)c1CCC(=O)OCC

HCID67338116

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C)C(=O)c1cc(OCCCCCCc2cccc(OCCCC(=O)O)c2CCC(=O)O)cc(-c2ccc(Cl)c(F)c2)c1

HCID67340031

未命名化合物

收率 40%

PROCEDURE

实验过程

The title compound was prepared according to the general procedure described in Steps 3 and 4 of Method F starting from 4-[3-[6-(3-bromo-5-dimethylcarbamoyl-phenoxy)-hexyl]-2-(2-ethoxycarbonyl-ethyl)-phenoxy]-butyric acid ethyl ester and 4-chloro-3-fluorophenylboronic acid. LC/MS indicated a purity of 92% as measured by UV 214 nM. Yield: 40% (after two steps)

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3d4c125ef6804e44a176c2a252e09b1a
来源数据集: uspto-grants-2011_08
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US07989454B2
来源说明: uspto-grants-2011_08

反应SMILES

C([O:3][C:4](=[O:41])[CH2:5][CH2:6][CH2:7][O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][C:22]2[CH:27]=[C:26]([C:28](=[O:32])[N:29]([CH3:31])[CH3:30])[CH:25]=[C:24](Br)[CH:23]=2)[C:10]=1[CH2:34][CH2:35][C:36]([O:38]CC)=[O:37])C.[Cl:42][C:43]1[CH:48]=[CH:47][C:46](B(O)O)=[CH:45][C:44]=1[F:52]>>[C:36]([CH2:35][CH2:34][C:10]1[C:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][C:22]2[CH:23]=[C:24]([C:46]3[CH:47]=[CH:48][C:43]([Cl:42])=[C:44]([F:52])[CH:45]=3)[CH:25]=[C:26]([C:28](=[O:32])[N:29]([CH3:30])[CH3:31])[CH:27]=2)=[CH:12][CH:13]=[CH:14][C:9]=1[O:8][CH2:7][CH2:6][CH2:5][C:4]([OH:41])=[O:3])([OH:38])=[O:37]