HRID710321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12370

1-Octyne

C8H14

HCID23352815

(4-Ethynylphenyl)(4-fluorophenyl)methanone

C15H9FO

结构：Ic1ccc2c(c1)CN(C(c1ccccc1)(c1ccccc1)c1ccccc1)C2

HCID66726248

未命名化合物

结构：CC(C)(C)OC(=O)NC1(C#Cc2ccc(I)cc2)COC(C)(C)OC1

HCID66726604

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(C#Cc2ccc(C#Cc3ccc(C(=O)c4ccc(F)cc4)cc3)cc2)COC(C)(C)OC1

HCID131733936

未命名化合物

收率 42%

PROCEDURE

实验过程

When the product of Step D was substituted for 1-octyne and tert-butyl-5-((4-iodophenyl)ethynyl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamate was substituted for 5-iodo-2-tritylisoindoline in Example 2, Step D, the similar process afforded the title compound in 42% yield, as creamy paste. 1H-NMR (CDCl3) 1.44 (s, 3H); 1.47 (s, 9H); 1.5 (s, 3H); 4.02 (d, 2H, J=11.37 Hz); 4.1 (d, 2H, J=11.31 Hz); 5.2 (s, 1H); 7.16 (tr, 2H, J=8.64 Hz); 7.40 (d, 2H, J=8.49 Hz); 7.46 (tr, 2H, J=8.46 Hz); 7.60 (d, 2H, J=8.43 Hz); 7.74 (d, 2H, J=8.39 Hz); 7.80-7.83 (m, 2H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2530f3f108a047e49b16a2c038899ce1
来源数据集: uspto-grants-2015_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09181182B2
来源说明: uspto-grants-2015_11

反应 SMILES

[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]([C:11]2[CH:16]=[CH:15][C:14]([F:17])=[CH:13][CH:12]=2)=[O:10])=[CH:5][CH:4]=1)#[CH:2].C#CCCCCCC.[C:26]([O:30][C:31](=[O:50])[NH:32][C:33]1([C:41]#[C:42][C:43]2[CH:48]=[CH:47][C:46](I)=[CH:45][CH:44]=2)[CH2:38][O:37][C:36]([CH3:40])([CH3:39])[O:35][CH2:34]1)([CH3:29])([CH3:28])[CH3:27].IC1C=C2C(=CC=1)CN(C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)C2>>[C:26]([O:30][C:31](=[O:50])[NH:32][C:33]1([C:41]#[C:42][C:43]2[CH:48]=[CH:47][C:46]([C:2]#[C:1][C:3]3[CH:4]=[CH:5][C:6]([C:9](=[O:10])[C:11]4[CH:12]=[CH:13][C:14]([F:17])=[CH:15][CH:16]=4)=[CH:7][CH:8]=3)=[CH:45][CH:44]=2)[CH2:34][O:35][C:36]([CH3:40])([CH3:39])[O:37][CH2:38]1)([CH3:27])([CH3:28])[CH3:29]