HRID733593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67340

Hexanoyl chloride

C6H11ClO

结构：CCCCc1ccc(C#Cc2ccc(CNCc3ccc(C(=O)OC)cc3)cc2)cc1

HCID11475414

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(=O)N(Cc1ccc(C#Cc2ccc(CCCC)cc2)cc1)Cc1ccc(C(=O)OC)cc1

HCID57841341

未命名化合物

PROCEDURE

实验过程

The titled compound was prepared following the procedure E using methyl 4-[({4-[(4-butylphenyl)ethynyl]benzyl}amino)methyl]benzoate and hexanoyl chloride as a colorless oil (69%). 1H NMR (CDCl3, 300 MHz) δ 8.03 (d, 1H), 7.97 (d, 1H), 7.54-7.40 (m, 4H). 7.27-7.09 (m, 6H), 4.62 (m, 2H), 4.46 (m, 2H), 3.92 (m, 3H), 2.62 (t, 2H), 2.40 (m, 2H), 1.77-1.54 (m, 4H), 1.43-1.23 (m, 6H), 0.96-0.83 (m, 6H). M+ (ESI): 510.4. HPLC, Rt: 6.25 min (Purity: 100%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-746e769fba24499e9a0fa0bdd7d50977
来源数据集: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07589232B2
来源说明: uspto-grants-2009_09

反应 SMILES

[CH2:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]#[C:12][C:13]2[CH:31]=[CH:30][C:16]([CH2:17][NH:18][CH2:19][C:20]3[CH:29]=[CH:28][C:23]([C:24]([O:26][CH3:27])=[O:25])=[CH:22][CH:21]=3)=[CH:15][CH:14]=2)=[CH:7][CH:6]=1)[CH2:2][CH2:3][CH3:4].[C:32](Cl)(=[O:38])[CH2:33][CH2:34][CH2:35][CH2:36][CH3:37]>>[CH2:1]([C:5]1[CH:6]=[CH:7][C:8]([C:11]#[C:12][C:13]2[CH:14]=[CH:15][C:16]([CH2:17][N:18]([CH2:19][C:20]3[CH:29]=[CH:28][C:23]([C:24]([O:26][CH3:27])=[O:25])=[CH:22][CH:21]=3)[C:32](=[O:38])[CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])=[CH:30][CH:31]=2)=[CH:9][CH:10]=1)[CH2:2][CH2:3][CH3:4]