HRID1033818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

结构：CCCCCN(Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)N1CCCc2ccccc21

HCID19024435

未命名化合物

PRODUCTS

生成物

结构：CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)N1CCCC2CC=CC=C21

HCID178446309

未命名化合物

收率 31%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

CONDITIONS

反应条件

温度: 60 °C

PROCEDURE

实验过程

A mixture of 29.3 mg (0.405 mmole) of 1-[N-pentyl-N-[[2'-(N-trityltetrazol-5-yl)biphenyl-4-yl]methyl]carbamoyl]-1,2,3,4-tetrahydroquinoline (from Step E), 400 μL of glacial acetic acid, and 180 μL of H2O was stirred under N2 at 60° C. for 16 hours, then cooled, and concentrated to dryness in vacuo. The residual oil was flash chromatographed on silica gel (elution with 3% and then 5% MeOH in CH2Cl2) to yield 6.0 mg (31%) of the title compound as a stiff foam, homogeneous by TLC (95:5 CH2Cl2 --MeOH); FAB-MS m/e 481 (M+1)+.

WORKUP

后处理

temperaturecooled
concentrationconcentrated to dryness in vacuo
customchromatographed on silica gel (
washelution with 3%

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87ff645cede34bb98d889485c31c8ebe
来源数据集: uspto-grants-1994_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05312820
来源说明: uspto-grants-1994_05

反应 SMILES

[CH2:1]([N:6]([CH2:19][C:20]1[CH:25]=[CH:24][C:23]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=2[C:32]2[N:36](C(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC=CC=3)[N:35]=[N:34][N:33]=2)=[CH:22][CH:21]=1)[C:7]([N:9]1[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[CH2:12][CH2:11][CH2:10]1)=[O:8])[CH2:2][CH2:3][CH2:4][CH3:5].C(O)(=O)C>O>[CH2:1]([N:6]([CH2:19][C:20]1[CH:21]=[CH:22][C:23]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=2[C:32]2[NH:36][N:35]=[N:34][N:33]=2)=[CH:24][CH:25]=1)[C:7]([N:9]1[C:18]2[CH:13]([CH2:14][CH:15]=[CH:16][CH:17]=2)[CH2:12][CH2:11][CH2:10]1)=[O:8])[CH2:2][CH2:3][CH2:4][CH3:5]