HRID2261852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID168937

Lithium hydroxide, monohydrate

H3LiO2

结构：COC(=O)c1cccc(C=Cc2ccc(OCc3c(C(C)C)cnn3-c3ccccc3C(F)(F)F)cc2C)c1

HCID67527608

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCc2c(C(C)C)cnn2-c2ccccc2C(F)(F)F)ccc1C=Cc1cccc(C(=O)O)c1

HCID67529153

未命名化合物

收率 99.1%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

CONDITIONS

反应条件

温度: 50 °C

PROCEDURE

实验过程

To a solution of 3-(2-{4-[4-isopropyl-2-(2-trifluoromethyl-phenyl)-2H-pyrazol-3-ylmethoxy]-2-methyl-phenyl}-vinyl)-benzoic acid methyl ester (136 mg, 0.25 mmol) in 1,4-dioxane (7 mL) is added 2N LiOH/H2O (3 mL). The reaction mixture is stirred at 50° C. overnight. The solvent is evaporated and the residue is partitioned between EtOAc and 1N HCl. The layers are separated and the organic phase is washed with water and concentrated to give the title compound (129 mg, 97%). LC-ES-MS m/e 521 (M+1), 100%.

WORKUP

后处理

customThe solvent is evaporated
customthe residue is partitioned between EtOAc and 1N HCl
customThe layers are separated
washthe organic phase is washed with water
concentrationconcentrated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0745c7947a1740cbb8f04799bc157542
来源数据集: uspto-grants-2010_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07846960B2
来源说明: uspto-grants-2010_12

反应 SMILES

C[O:2][C:3](=[O:39])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([CH:10]=[CH:11][C:12]2[CH:17]=[CH:16][C:15]([O:18][CH2:19][C:20]3[N:21]([C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=4[C:34]([F:37])([F:36])[F:35])[N:22]=[CH:23][C:24]=3[CH:25]([CH3:27])[CH3:26])=[CH:14][C:13]=2[CH3:38])[CH:5]=1.[Li+].[OH-].O>O1CCOCC1>[CH:25]([C:24]1[CH:23]=[N:22][N:21]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=2[C:34]([F:35])([F:36])[F:37])[C:20]=1[CH2:19][O:18][C:15]1[CH:16]=[CH:17][C:12]([CH:11]=[CH:10][C:6]2[CH:5]=[C:4]([CH:9]=[CH:8][CH:7]=2)[C:3]([OH:39])=[O:2])=[C:13]([CH3:38])[CH:14]=1)([CH3:27])[CH3:26]