HRID10647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11470

4-Acetylbenzoic acid

C9H8O3

结构：COc1cc(OC)c(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1C=O

HCID16116307

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1

HCID16115624

未命名化合物

收率 8%

PROCEDURE

实验过程

The title compound was prepared by condensing 2-(5-formyl-2,4-dimethoxy-phenyl)-indole-1-carboxylic acid tert-butyl ester (Ex-36A) and 4-acetylbenzoic acid in a similar manner as described in Ex-3. Yellow solid, 8% yield, mp 182–183° C. 1H-NMR (CDCl3) δ 8.21 (d, J=8 Hz, 2H), 8.19 (d, J=13 Hz, 1H), 8.16 (d, J=7 Hz, 1H), 8.07 (d, J=8 Hz, 2H), 7.69 (s, 1H), 7.54 (d, J=7 Hz, 1H), 7.52 (d, J=13 Hz, 1H), 7.29–7.35 (m, 1H), 7.23 (d, J=7 Hz, 1H), 6.55 (s, 1H), 6.50 (s, 1H), 4.00 (s, 3H), 3.85 (s, 3H), 3.81 (s, 3H). MS m/z=528 ([M+H]+, 100%). Anal. calc. for C31H29NO7H2O: C, 68.25; H, 5.73; N, 2.56; found: C, 68.63; H, 5.62; N, 2.45.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-557d78e808734cb58e2ddb63fd12ca6f
来源数据集: uspto-grants-2006_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07094801B2
来源说明: uspto-grants-2006_08

反应 SMILES

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