HRID733566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66039

3-Cyclopentylpropionyl chloride

C8H13ClO

结构：CCCCc1ccc(C#Cc2ccc(CNc3ccc4c(c3)OC(C)(C)OC4=O)cc2)cc1

HCID11419288

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(CN(C(=O)CCC3CCCC3)c3ccc4c(c3)OC(C)(C)OC4=O)cc2)cc1

HCID57841316

未命名化合物

PROCEDURE

实验过程

The titled compound was prepared following the procedure I using 7-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one and 3-cyclopentylpropanoyl chloride as a white powder (44%). 1H NMR (CDCl3, 300 MHz) δ 7.92 (d, J=8.3 Hz, 1H), 7.42 (m, 4H), 7.14 (m, 4H), 6.77 (m, 1H), 6.60 (br s, 1H), 4.89 (s, 2H), 2.61 (t, J=7.5 Hz, 2H), 2.16 (m, 2H), 1.71 (s, 6H). 1.68-1.28 (m, 13H), 1.03-0.88 (m, 5H). HPLC, Rt: 6.24 min (Purity: 99%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36f19e22afd14a0d8a82a5bb31cfcdb2
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:33]=[CH:32][C:16]([CH2:17][NH:18][C:19]3[CH:20]=[CH:21][C:22]4[C:27](=[O:28])[O:26][C:25]([CH3:30])([CH3:29])[O:24][C:23]=4[CH:31]=3)=[CH:15][CH:14]=2)=[CH:7][CH:6]=1)[CH2:2][CH2:3][CH3:4].[CH:34]1([CH2:39][CH2:40][C:41](Cl)=[O:42])[CH2:38][CH2:37][CH2:36][CH2:35]1>>[CH2:1]([C:5]1[CH:6]=[CH:7][C:8]([C:11]#[C:12][C:13]2[CH:33]=[CH:32][C:16]([CH2:17][N:18]([C:19]3[CH:20]=[CH:21][C:22]4[C:27](=[O:28])[O:26][C:25]([CH3:29])([CH3:30])[O:24][C:23]=4[CH:31]=3)[C:41](=[O:42])[CH2:40][CH2:39][CH:34]3[CH2:38][CH2:37][CH2:36][CH2:35]3)=[CH:15][CH:14]=2)=[CH:9][CH:10]=1)[CH2:2][CH2:3][CH3:4]