HRID733595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74372

Benzoyl chloride, 4-(1,1-dimethylethyl)-

C11H13ClO

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：CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(C(=O)OC)cc3)C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1

HCID57841411

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 4-tert-butylbenzoyl chloride as a colorless oil (63%). 1H NMR (CDCl3, 300 MHz) δ 8.02 (d, J=8.3 Hz, 2H), 7.50 (d, J=8.3 Hz, 2H), 7.48-7.29 (m, 7H), 7.28-7.07 (m, 5H), 4.80-4.62 (m, 2H), 4.55-4.40 (m, 2H), 3.92 (s, 3H), 2.61 (t, J=7.7 Hz, 2H), 1.66-1.53 (m, 2H), 1.40-1.23 (m, 11H), 0.92 (t, J=7.4 Hz, 3H). M+ (ESI): 572.5. HPLC, Rt: 6.22 min (Purity: 99.5%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e1c1eedd8f641ce8934ac2d33b57325
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]([C:36]1[CH:44]=[CH:43][C:39]([C:40](Cl)=[O:41])=[CH:38][CH:37]=1)([CH3:35])([CH3:34])[CH3:33]>>[C:32]([C:36]1[CH:37]=[CH:38][C:39]([C:40]([N:18]([CH2:19][C:20]2[CH:29]=[CH:28][C:23]([C:24]([O:26][CH3:27])=[O:25])=[CH:22][CH:21]=2)[CH2:17][C:16]2[CH:15]=[CH:14][C:13]([C:12]#[C:11][C:8]3[CH:7]=[CH:6][C:5]([CH2:1][CH2:2][CH2:3][CH3:4])=[CH:10][CH:9]=3)=[CH:31][CH:30]=2)=[O:41])=[CH:43][CH:44]=1)([CH3:35])([CH3:33])[CH3:34]