HRID733545

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(CNc3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1.Cl

HCID68419698

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1

HCID57841325

未命名化合物

PROCEDURE

实验过程

The titled compound was prepared following the procedure J using 6-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one hydrochloride and 4-tert-butylbenzoyl chloride as a colorless oil (76%). 1H NMR (CDCl3, 300 MHz) δ 7.65 (d, J=2.3 Hz, 1H), 7.46 (m, 4H), 7.30-7.16 (m, 8H), 7.01 (dd, J=8.7, 2.3 Hz, 1H), 6.74 (d, J=8.7 Hz, 1H), 5.14 (s, 2H), 2.64 (t, J=7.7 Hz, 2H), 1.68 (s, 6H), 1.62 (m, 2H), 1.38 (m, 2H), 1.25 (s, 9H), 0.95 (t, J=7.2 Hz, 3H). HPLC, Rt: 6.12 min (Purity: 97%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e6a1972a8b943f2b761f904db444699
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

Cl.[CH2:2]([C:6]1[CH:11]=[CH:10][C:9]([C:12]#[C:13][C:14]2[CH:34]=[CH:33][C:17]([CH2:18][NH:19][C:20]3[CH:32]=[CH:31][C:23]4[O:24][C:25]([CH3:30])([CH3:29])[O:26][C:27](=[O:28])[C:22]=4[CH:21]=3)=[CH:16][CH:15]=2)=[CH:8][CH:7]=1)[CH2:3][CH2:4][CH3:5].[C:35]([C:39]1[CH:47]=[CH:46][C:42]([C:43](Cl)=[O:44])=[CH:41][CH:40]=1)([CH3:38])([CH3:37])[CH3:36]>>[C:35]([C:39]1[CH:40]=[CH:41][C:42]([C:43]([N:19]([CH2:18][C:17]2[CH:33]=[CH:34][C:14]([C:13]#[C:12][C:9]3[CH:8]=[CH:7][C:6]([CH2:2][CH2:3][CH2:4][CH3:5])=[CH:11][CH:10]=3)=[CH:15][CH:16]=2)[C:20]2[CH:32]=[CH:31][C:23]3[O:24][C:25]([CH3:30])([CH3:29])[O:26][C:27](=[O:28])[C:22]=3[CH:21]=2)=[O:44])=[CH:46][CH:47]=1)([CH3:38])([CH3:36])[CH3:37]