HRID733628

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)C(=O)OC(C)(C)O4)cn2)cc1

HCID57841399

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(CN(C(=O)CCC3CCCC3)c3ccc4c(c3)C(=O)OC(C)(C)O4)cn2)cc1

HCID57841324

未命名化合物

PROCEDURE

实验过程

The titled compound was prepared following the procedure B using 6-[({6-[(4-butylphenyl)ethynyl]-3-pyridinyl}methyl)amino]-2,2-dimethyl-4H-1,3-benzodioxin-4-one and 3-cyclopentylpropionyl chloride as a yellow oil (73%). 1H NMR (CDCl3, 300 MHz) δ 8.28 (s, 1H), 7.77 (m, 2H), 7.48 (m, 3H), 7.16 (d, J=8.3 Hz. 2H), 7.05 (m, 1H), 6.93 (d, J=8.7 Hz, 1H), 4.87 (s, 2H), 2.61 (t, J=7.5 Hz, 2H), 2.05 (m, 2H), 1.74 (s, 6H), 1.68-1.29 (m, 13H), 0.92 (m, 5H). M+ (ESI): 565.3. HPLC, Rt: 5.43 min (Purity: 97.6%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-352036e63db64d3a818398a40d5ed432
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[N:18]=[CH:17][C:16]([CH2:19][NH:20][C:21]3[CH:33]=[CH:32][C:24]4[O:25][C:26]([CH3:31])([CH3:30])[O:27][C:28](=[O:29])[C:23]=4[CH:22]=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[N:18]=[CH:17][C:16]([CH2:19][N:20]([C:21]3[CH:33]=[CH:32][C:24]4[O:25][C:26]([CH3:31])([CH3:30])[O:27][C:28](=[O:29])[C:23]=4[CH:22]=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]