HRID1891366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)CCCOc1cc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)cc1S(=O)(=O)N1CCCCc2ccccc21

HCID59410240

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(C(F)(F)F)ncc1-c1cc(S(=O)(=O)N2CCCCc3ccccc32)c(OCCCC(=O)O)cc1Cl

HCID24994899

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID313

Hydrochloric Acid

ClH

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

4-[5-Chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenoxy]-butyric acid tert-butyl ester 6-1 (30 mg, 0.046 mmol) was stirred in 4M HCl in dioxane (1 mL) at 40° C. for 2 hrs and concentrated. The resulting oil residue was purified by TLC plates eluting with 4% methanol in DCM to afford 4-[5-chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenoxy]-butyric acid 7-1. MS: 593.8 (M+H)+; tR=8.94 min (method 2).

WORKUP

后处理

concentrationconcentrated
customThe resulting oil residue was purified by TLC plates
washeluting with 4% methanol in DCM

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c5a728b8aae4becbe0af7f82cc113fa
来源数据集: uspto-grants-2013_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08507536B2
来源说明: uspto-grants-2013_08

反应 SMILES

C([O:5][C:6](=[O:44])[CH2:7][CH2:8][CH2:9][O:10][C:11]1[CH:16]=[C:15]([Cl:17])[C:14]([C:18]2[CH:19]=[N:20][C:21]([C:26]([F:29])([F:28])[F:27])=[CH:22][C:23]=2[C:24]#[N:25])=[CH:13][C:12]=1[S:30]([N:33]1[CH2:39][CH2:38][CH2:37][CH2:36][C:35]2[CH:40]=[CH:41][CH:42]=[CH:43][C:34]1=2)(=[O:32])=[O:31])(C)(C)C>Cl.O1CCOCC1>[Cl:17][C:15]1[C:14]([C:18]2[CH:19]=[N:20][C:21]([C:26]([F:27])([F:29])[F:28])=[CH:22][C:23]=2[C:24]#[N:25])=[CH:13][C:12]([S:30]([N:33]2[CH2:39][CH2:38][CH2:37][CH2:36][C:35]3[CH:40]=[CH:41][CH:42]=[CH:43][C:34]2=3)(=[O:31])=[O:32])=[C:11]([CH:16]=1)[O:10][CH2:9][CH2:8][CH2:7][C:6]([OH:44])=[O:5]