HRID2052468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(Cl)c1cc(C(=O)Cl)cc([N+](=O)[O-])c1

HCID83451

5-Nitroisophthaloyl chloride

C8H3Cl2NO4

结构：O=C([O-])C1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]

HCID164825

未命名化合物

HCID23665404

Sodium Acetate Trihydrate

C2H9NaO5

结构：Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c(N)c1

HCID57094589

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1

HCID20376791

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

溶剂HCID3283

Diethyl Ether

C4H10O

2 次

PROCEDURE

实验过程

A solution of 2.78 g of 5-nitroisophthaloyl chloride in 50 ml of ether is added to a stirred mixture of 6.5 g of 8-(3-amino-p-toluamido)-1,3,5-naphthalenetrisulfonic acid, trisodium salt, 3.2 g of sodium acetate trihydrate, 50 ml of water and 40 ml of ether over a 40 minute period. The mixture is stirred for an additional 30 minutes, then is evaporated. The residue is dissolved in 20 ml of hot water, then is placed in an icebox overnight. The precipitate is collected, washed with ice-water, 80% aqueous ethanol, ethanol and ether and is dried to yield 2.9 g of 2'-methyl-5-nitro-5'-(4,6,8-trisulfo-1-naphthylcarbamoyl)isophthalanilic acid, trisodium salt.

WORKUP

后处理

customis evaporated
dissolutionThe residue is dissolved in 20 ml of hot water
waitis placed in an icebox overnight
customThe precipitate is collected
washwashed with ice-water, 80% aqueous ethanol, ethanol and ether
customis dried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3aa20de38694568800f326f438cb238
来源数据集: uspto-grants-1980_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04185033
来源说明: uspto-grants-1980_01

反应 SMILES

[N+:1]([C:4]1[CH:5]=[C:6]([C:13](Cl)=[O:14])[CH:7]=C([CH:12]=1)C(Cl)=O)([O-:3])=[O:2].N[C:17]1[CH:18]=[C:19]([CH3:48])[CH:20]=[CH:21][C:22]=1[C:23]([NH:25][C:26]1[C:35]2[C:34]([S:36]([OH:39])(=[O:38])=[O:37])=[CH:33][C:32]([S:40]([OH:43])(=[O:42])=[O:41])=[CH:31][C:30]=2[C:29]([S:44]([OH:47])(=[O:46])=[O:45])=[CH:28][CH:27]=1)=[O:24].C1C([N:55]=NC2C(=O)N(C3C=CC(S([O-])(=O)=O)=CC=3)N=C2C([O-])=O)=CC=C(S([O-])(=O)=O)C=1.[Na+].[Na+].[Na+].O.O.O.[C:86]([O-:89])(=[O:88])[CH3:87].[Na+]>CCOCC.O>[CH3:48][C:19]1[CH:18]=[CH:17][C:22]([C:23](=[O:24])[NH:25][C:26]2[C:35]3[C:30](=[CH:31][C:32]([S:40]([OH:43])(=[O:42])=[O:41])=[CH:33][C:34]=3[S:36]([OH:39])(=[O:37])=[O:38])[C:29]([S:44]([OH:47])(=[O:45])=[O:46])=[CH:28][CH:27]=2)=[CH:21][C:20]=1[NH:55][C:13](=[O:14])[C:6]1[CH:7]=[C:87]([CH:12]=[C:4]([N+:1]([O-:3])=[O:2])[CH:5]=1)[C:86]([OH:89])=[O:88]