HRID1178991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID674

Dimethylamine

C2H7N

结构：O=C(O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)n3cc(-c4ccccc4)c4ccccc43)cc2)cc1

HCID58975104

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)n3cc(-c4ccccc4)c4ccccc43)cc2)cc1

HCID58975151

未命名化合物

收率 15.2%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

Combine 4-{[4-(3-Phenyl-indole-1-sulfonyl)-benzoylamino]-methyl}-benzoic acid (0.489 mmole) with dimethylamine (0.587 mmole), and EDC (0.733 mmole) in 5 ml of dichloromethane and stir for 15 hrs. Dilute □eaction and wash with 1 N HCl. Dry organic layer over MgSO4 and concentrate. Purify the residue via column chromatography with a mixture of ethyl acetate and dichloromethane to isolate 0.040 g (15.2%) of the title compound: MSES+ 537.95; MSES− 536.08.

WORKUP

后处理

additionDilute □eaction
washwash with 1 N HCl
concentrationDry organic layer over MgSO4 and concentrate
customPurify the residue via column chromatography
additionwith a mixture of ethyl acetate and dichloromethane

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e6aa959610e4776b69ae52f6204ae2b
来源数据集: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07276516B2
来源说明: uspto-grants-2007_10

反应 SMILES

[C:1]1([C:7]2[C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[N:9]([S:16]([C:19]3[CH:37]=[CH:36][C:22]([C:23]([NH:25][CH2:26][C:27]4[CH:35]=[CH:34][C:30]([C:31]([OH:33])=O)=[CH:29][CH:28]=4)=[O:24])=[CH:21][CH:20]=3)(=[O:18])=[O:17])[CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:38][NH:39][CH3:40].C(Cl)CCl>ClCCl>[C:1]1([C:7]2[C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[N:9]([S:16]([C:19]3[CH:20]=[CH:21][C:22]([C:23]([NH:25][CH2:26][C:27]4[CH:35]=[CH:34][C:30]([C:31]([N:39]([CH3:40])[CH3:38])=[O:33])=[CH:29][CH:28]=4)=[O:24])=[CH:36][CH:37]=3)(=[O:17])=[O:18])[CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1