HRID735475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID11430

Potassium Carbonate

CK2O3

HCID2733978

2-[4-(Bromomethyl)phenyl]propanoic acid

C10H11BrO2

结构：Oc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccccc2)cc1

HCID136393280

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)O)c1ccc(COc2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)cc2)cc1

HCID67021209

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

The title compound was prepared by treating 4-(2-benzyl-7-trifluoromethyl-2H-indazole-3-yl)-phenol (20 mg, 1 eq) with 2-(4-bromomethyl-phenyl)-propionic acid (39 mg, 3 eq) and potassium carbonate (37 mg, 5 eq) in DMF (2 mL) at 150° C. overnight. After cooling, water was added and the pH adjusted to 1 (aq. HCl, 2M) followed by extraction with dichloromethane. Purification by preparative HPLC gave the desired product in 45% yleld.

WORKUP

后处理

customThe title compound was prepared
temperatureAfter cooling
extractionfollowed by extraction with dichloromethane
customPurification by preparative HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c5e116b6417415381699154327b0592
来源数据集: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07592363B2
来源说明: uspto-grants-2009_09

反应 SMILES

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