HRID855450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2723939

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

C8H18ClN3

结构：CC(C)(C)c1ccc(CNCCc2cccc(C(F)(F)F)c2)cc1

HCID68560440

未命名化合物

HCID69346079

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2c(F)c(F)cc3cc[nH]c23)cc1

HCID86603130

未命名化合物

收率 38%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

87 mg (0.44 mol) of 5,6-difluoro-1H-indol-7-carboxylic acid, 134 mg (0.40 mmol) of (4-tert-butyl-benzyl)-[2-(3-trifluoromethyl-phenyl)-ethyl]-amine and 84 mg (0.44 mmol) of EDC.HCl were dissolved in 4 ml DCM. The reaction mixture was stirred at rt over night. The solvent was evaporated and the residue was purified by column chromatography (20 g silica gel; heptane/EtOAc 4:1) to yield 78 mg (38%) product as a colorless viscous oil. MS (ISP) 515.3 (M+H)+.

WORKUP

后处理

customThe solvent was evaporated
customthe residue was purified by column chromatography (20 g silica gel; heptane/EtOAc 4:1)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff72c0c7cb294fefae8878dd71d804b4
来源数据集: uspto-grants-2007_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07259183B2
来源说明: uspto-grants-2007_08

反应 SMILES

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