HRID1393432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID253877

Potassium bromide

BrK

结构：Cc1ccc(S(=O)(=O)OCCc2nc(-c3cccs3)oc2C)cc1

HCID22340042

未命名化合物

结构：CCOC(=O)C(C)(Cc1ccc(O)cc1)Oc1ccc(OC(F)(F)F)cc1

HCID69320543

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2cccs2)nc1CCOc1ccc(CC(C)(Oc2ccc(OC(F)(F)F)cc2)C(=O)O)cc1

HCID22340035

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 3-(4-hydroxy-phenyl)-2-methyl-2-(4-trifluoromethoxy-phenoxy)-propionic acid ethyl ester and toluene-4-sulfonic acid 2-(5-methyl-2-thiophen-2-yl-oxazol-4-yl)-ethyl ester using the procedure of Example 42. 1H NMR (400 MHz, CDCl3) δ 7.70-7.67 (m, 1H), 7.41 (dd, 1H, J=5.2, 1.2 Hz), 7.17 (d, 2H, J=8.8 Hz), 7.11-7.07 (m, 3H), 6.90 (d, 2H, J=8.8 Hz), 6.83 (d, 2H, J=8.8. Hz), 4.20 (t, 2H, J=6.6 Hz), 3.25 and 3.14 (d of Abq, 2H, J=14.0 Hz), 2.99 (t, 2H, J=6.4 Hz), 2.37 (s, 3H), 1.43 (s, 3H). IR (KBr) 3600, 3000, 1727, 1611, 1504, 1265 cm−1. HRMS (ES+) m/z exact mass calcd for C27H25NO6F3S 548.1354, found 548.1362.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd85c70d2c7445d49e34126ddca113cd
来源数据集: uspto-grants-2008_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07345070B2
来源说明: uspto-grants-2008_03

反应 SMILES

C([O:3][C:4](=[O:27])[C:5]([CH3:26])([O:14][C:15]1[CH:20]=[CH:19][C:18]([O:21][C:22]([F:25])([F:24])[F:23])=[CH:17][CH:16]=1)[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([OH:13])=[CH:9][CH:8]=1)C.[CH3:28][C:29]1[O:33][C:32]([C:34]2[S:35][CH:36]=[CH:37][CH:38]=2)=[N:31][C:30]=1[CH2:39][CH2:40]OS(C1C=CC(C)=CC=1)(=O)=O.[K+].[Br-]>>[CH3:26][C:5]([O:14][C:15]1[CH:20]=[CH:19][C:18]([O:21][C:22]([F:25])([F:23])[F:24])=[CH:17][CH:16]=1)([CH2:6][C:7]1[CH:12]=[CH:11][C:10]([O:13][CH2:40][CH2:39][C:30]2[N:31]=[C:32]([C:34]3[S:35][CH:36]=[CH:37][CH:38]=3)[O:33][C:29]=2[CH3:28])=[CH:9][CH:8]=1)[C:4]([OH:3])=[O:27]