HRID969974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID444972

Fumaric acid

C4H4O4

结构：O=[N+]([O-])c1ccc(-c2ccc(OC3CN4CCC3CC4)cc2)cc1

HCID21072605

未命名化合物

PRODUCTS

生成物

结构：O=C(O)/C=C/C(=O)O.O=[N+]([O-])c1ccc(-c2ccc(OC3CN4CCC3CC4)cc2)cc1.O=[N+]([O-])c1ccc(-c2ccc(OC3CN4CCC3CC4)cc2)cc1

HCID131726718

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21584252

未命名化合物

PROCEDURE

实验过程

The product of Example 5A (33 mg, 0.1 mmol) in ethyl acetate/ethanol (3 mL, 1:1) was treated with fumaric acid (12 mg, 0.1 mmol) at ambient temperature for 10 hours. The title compound was obtained as a solid (14 mg, yield, 36%). 1H NMR (MeOH-d4, 300 MHz) δ 1.70-1.83 (m, 1H), 1.85-2.09 (m, 2H), 2.17-2.30 (m, 1H), 2.39-2.47 (m, 1H), 3.06-3.35 (m, 5H), 3.60-3.72 (m, 1H), 6.67 (s, 1H), 7.09 (dt, J=8.8, 2.5 Hz, 2H), 7.70 (dt, J=9.2, 2.3 Hz, 2H), 7.83 (dt, J=8.8, 2.4 Hz, 2H), 8.29 (dt, J=8.8, 2.3 Hz, 2H) ppm. MS (Cl/NH3): m/z 325 (M+H)+. Anal. Calculated for C19H20N2O3.0.5C4H4O4.0.35H2O: C, 64.89; H, 5.89; N, 7.21. Found: C, 64.82; H, 6.02; N, 6.95.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce5eb59cdf6f411680c887af33dca654
来源数据集: uspto-grants-2007_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07309699B2
来源说明: uspto-grants-2007_12

反应 SMILES

[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:15]=[CH:14][C:13]([O:16][CH:17]3[CH:22]4[CH2:23][CH2:24][N:19]([CH2:20][CH2:21]4)[CH2:18]3)=[CH:12][CH:11]=2)=[CH:6][CH:5]=1)([O-:3])=[O:2].[C:25]([OH:32])(=[O:31])/[CH:26]=[CH:27]/[C:28]([OH:30])=[O:29]>C(OCC)(=O)C.C(O)C>[C:25]([OH:32])(=[O:31])/[CH:26]=[CH:27]/[C:28]([OH:30])=[O:29].[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:11]=[CH:12][C:13]([O:16][CH:17]3[CH:22]4[CH2:23][CH2:24][N:19]([CH2:20][CH2:21]4)[CH2:18]3)=[CH:14][CH:15]=2)=[CH:6][CH:5]=1)([O-:3])=[O:2].[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:11]=[CH:12][C:13]([O:16][CH:17]3[CH:22]4[CH2:23][CH2:24][N:19]([CH2:20][CH2:21]4)[CH2:18]3)=[CH:14][CH:15]=2)=[CH:6][CH:5]=1)([O-:3])=[O:2]