HRID878357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

结构：CS(=O)(=O)CCNc1cnccc1-c1ccccc1OC(F)(F)F

HCID70663444

未命名化合物

结构：COc1cccc(F)c1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1

HCID86670807

未命名化合物

2 次

PRODUCTS

生成物

结构：CS(=O)(=O)CCN(C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cnccc1-c1ccccc1OC(F)(F)F

HCID86670821

未命名化合物

收率 13%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

The title compound was prepared in analogy to example 72, intermediate, from (2-methanesulfonyl-ethyl)-[4-(2-trifluoromethoxy-phenyl)-pyridin-3-yl]-amine, DIPEA and 3-methanesulfonyl-5-trifluoromethyl-benzoyl chloride (example 223, intermediate d) in CH2Cl2 after a reaction time of 12 hours at 25° C. The crude thus obtained was purified by preparative HPLC (ammonium acetate/acetonitrile) to furnish the title compound as an off-white solid (15 mg, 13%). MS (ESI): m/z=611.2 [M+H]+.

WORKUP

后处理

customThe crude thus obtained
customwas purified by preparative HPLC (ammonium acetate/acetonitrile)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f59ac56a6a114310aa0a59db660480f0
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08987307B2
来源说明: uspto-grants-2015_03

反应 SMILES

[CH3:1][S:2]([CH2:5][CH2:6][NH:7][C:8]1[CH:9]=[N:10][CH:11]=[CH:12][C:13]=1[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=1[O:20][C:21]([F:24])([F:23])[F:22])(=[O:4])=[O:3].CCN(C(C)C)C(C)C.FC1C=CC=C(OC)C=1C1C=CN=CC=1N(CC(F)(F)F)[C:50](=[O:65])[C:51]1[CH:56]=[C:55]([C:57]([F:60])([F:59])[F:58])[CH:54]=[C:53]([S:61]([CH3:64])(=[O:63])=[O:62])[CH:52]=1>C(Cl)Cl>[CH3:64][S:61]([C:53]1[CH:52]=[C:51]([CH:56]=[C:55]([C:57]([F:58])([F:59])[F:60])[CH:54]=1)[C:50]([N:7]([CH2:6][CH2:5][S:2]([CH3:1])(=[O:4])=[O:3])[C:8]1[CH:9]=[N:10][CH:11]=[CH:12][C:13]=1[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=1[O:20][C:21]([F:23])([F:24])[F:22])=[O:65])(=[O:63])=[O:62]