HRID54729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7416

Nitrobenzene

C6H5NO2

HCID7814

1,4-Benzenediamine

C6H8N2

HCID82620

Methanaminium, N,N,N-trimethyl-, hydroxide, pentahydrate

C4H23NO6

PRODUCTS

生成物

HCID5101393

1,4-Benzenediamine, N-(4-nitrophenyl)-

C12H11N3O2

HCID15219934

未命名化合物

结构：O=Nc1ccc(Nc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)cc1

HCID19959741

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID679

Dimethyl sulfoxide

C2H6OS

PROCEDURE

实验过程

Nitrobenzene (2 ml, 0.02 mole) was added via a syringe to a stirring solution containing 1.08 g (0.01 mole) of 1,4-phenylenediamine, 3.6 g (0.02 mole) of tetramethylammonium hydroxide pentahydrate in 2 ml of dimethylsulfoxide under nitrogen at 70° C. The solution was stirred at such condition for 4 hours. An aliquot was taken out for LC, MS, LC-MS analyses. N,N'-(4-nitrosophenyl)-1,4-phenylenediamine, N-(4-nitrophenyl)-N'-(4-nitrosophenyl)-1,4-phenylenediamine and N,N'-(4-nitrophenyl)-1,4-phenylenediamine were obtained.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e63fd5b95f1b4e59b5d2758ec5cd15e6
来源数据集: uspto-grants-1997_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05623088
来源说明: uspto-grants-1997_04

反应 SMILES

[N+:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)([O-:3])=[O:2].[C:10]1([NH2:17])[CH:15]=[CH:14][C:13]([NH2:16])=[CH:12][CH:11]=1.[OH2:18].O.O.O.O.[OH-].C[N+:25]([CH3:28])(C)[CH3:26]>CS(C)=O>[N:1]([C:4]1[CH:9]=[CH:8][C:7]([NH:16][C:13]2[CH:14]=[CH:15][C:10]([NH2:17])=[CH:11][CH:12]=2)=[CH:6][CH:5]=1)=[O:3].[N+:1]([C:4]1[CH:5]=[CH:6][C:26]([NH:25][C:28]2[CH:8]=[CH:9][C:4]([NH:16][C:13]3[CH:14]=[CH:15][C:10]([N:17]=[O:18])=[CH:11][CH:12]=3)=[CH:5][CH:6]=2)=[CH:8][CH:9]=1)([O-:3])=[O:2].[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([NH:16][C:13]2[CH:14]=[CH:15][C:10]([NH2:17])=[CH:11][CH:12]=2)=[CH:6][CH:5]=1)([O-:3])=[O:2]