HRID529022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID414088

未命名化合物

结构：CCCCN(CCCC)C(=O)c1c[nH]c(-c2ccc(C(=O)OC)cc2C(=O)OCc2ccccc2)n1

HCID178449065

未命名化合物

PRODUCTS

生成物

结构：CCCCN(CCCC)C(=O)c1cn(CCCN2CCN(C)CC2)c(-c2ccc(C(=O)OC)cc2C(=O)OCc2ccccc2)n1

HCID86718940

未命名化合物

收率 71.2%

PROCEDURE

实验过程

Following a procedure analogous to that for the synthesis of Intermediate 271F, 3-benzyl 1-methyl 4-(4-(dibutylcarbamoyl)-1H-imidazol-2-yl)isophthalate (200 mg, 0.40 mmol) and 1-(3-bromopropyl)-4-methylpiperazine (112 mg, 0.81 mmol) were converted to the title compound (180 mg, 70%). 1H NMR (CD3OD) δ 8.67 (d, J=2.0 Hz, 1H), 8.33 (dd, J=8.0, 1.6 Hz, 1H), 7.69 (d, J=8.0 Hz, 1H), 7.62 (s, 1H), 7.38-7.30 (m, 5H), 5.21 (s, 2H), 4.00 (s, 3H), 3.82-3.78 (m, 4H), 3.50 (br s, 2H), 2.35-2.12 (m, 13H), 1.71-1.64 (m, 6H), 1.41-1.27 (m, 4H), 1.00-0.87 (m, 6H); MS(ESI+) m/z 632.4 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1586b56624d4062894832177948489b
来源数据集: uspto-grants-2016_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09346795B2
来源说明: uspto-grants-2016_05

反应 SMILES

[CH2:1]([N:5]([CH2:33][CH2:34][CH2:35][CH3:36])[C:6]([C:8]1[N:9]=[C:10]([C:13]2[CH:22]=[CH:21][C:16]([C:17]([O:19][CH3:20])=[O:18])=[CH:15][C:14]=2[C:23]([O:25][CH2:26][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)=[O:24])[NH:11][CH:12]=1)=[O:7])[CH2:2][CH2:3][CH3:4].Br[CH2:38][CH2:39][CH2:40][N:41]1[CH2:46][CH2:45][N:44]([CH3:47])[CH2:43][CH2:42]1>>[CH2:33]([N:5]([CH2:1][CH2:2][CH2:3][CH3:4])[C:6]([C:8]1[N:9]=[C:10]([C:13]2[CH:22]=[CH:21][C:16]([C:17]([O:19][CH3:20])=[O:18])=[CH:15][C:14]=2[C:23]([O:25][CH2:26][C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=2)=[O:24])[N:11]([CH2:38][CH2:39][CH2:40][N:41]2[CH2:46][CH2:45][N:44]([CH3:47])[CH2:43][CH2:42]2)[CH:12]=1)=[O:7])[CH2:34][CH2:35][CH3:36]