HRID1289845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)c1cc(OCCCC(=O)OCc2ccccc2)cc2c1C(=O)N(COc1cc(C(F)(F)F)nn1-c1ccccc1)S2(=O)=O

HCID67641507

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(OCCCC(=O)O)cc2c1C(=O)N(COc1cc(C(F)(F)F)nn1-c1ccccc1)S2(=O)=O

HCID9808057

未命名化合物

收率 90.4%

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID23938

Palladium

溶剂HCID8857

Ethyl acetate

C4H8O2

PROCEDURE

实验过程

A mixture of 4-isopropyl-6-[3-(phenylmethyloxycarbonyl)propoxy]-2-(1-phenyl-3-trifluoromethylpyrazol-5-yl-oxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (820 mg) and 200 mg of 10% Pd/C in 40 ml of ethyl acetate was hydrogenated (hydrogen balloon). The catalyst was removed on a pad of CELIITEO and the filtrate was concentrated in vacuo to afford 640 mg (90%) of 4-isopropyl-6-[3-(carboxy)propoxy]-2-(1-phenyl-3-trifluoromethylpyrazol-5-yl-oxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (Formula I: R1 =Ph; R2 =CH3 ; R3 =H; R4 =CH(CH3)2 ; R5 =6-O(CH2)3CO2 as a foam.

WORKUP

后处理

customThe catalyst was removed on a pad of CELIITEO
concentrationthe filtrate was concentrated in vacuo

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02bfa0ce9b5b475580c5811c50f7b892
来源数据集: uspto-grants-1998_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05750550
来源说明: uspto-grants-1998_05

反应 SMILES

[CH:1]([C:4]1[C:9]2[C:10](=[O:32])[N:11]([CH2:15][O:16][C:17]3[N:21]([C:22]4[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=4)[N:20]=[C:19]([C:28]([F:31])([F:30])[F:29])[CH:18]=3)[S:12](=[O:14])(=[O:13])[C:8]=2[CH:7]=[C:6]([O:33][CH2:34][CH2:35][CH2:36][C:37]([O:39]CC2C=CC=CC=2)=[O:38])[CH:5]=1)([CH3:3])[CH3:2].[H][H]>C(OCC)(=O)C.[Pd]>[CH:1]([C:4]1[C:9]2[C:10](=[O:32])[N:11]([CH2:15][O:16][C:17]3[N:21]([C:22]4[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=4)[N:20]=[C:19]([C:28]([F:31])([F:29])[F:30])[CH:18]=3)[S:12](=[O:14])(=[O:13])[C:8]=2[CH:7]=[C:6]([O:33][CH2:34][CH2:35][CH2:36][C:37]([OH:39])=[O:38])[CH:5]=1)([CH3:3])[CH3:2]