HRID1155320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12346894

4-ACETYLAMINOPYRAZOLE

C5H7N3O

结构：CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cccc(C(=O)NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2Br)c1

HCID20555344

未命名化合物

PRODUCTS

生成物

结构：CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cccc(C(=O)NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2n2cc(NC(C)=O)cn2)c1

HCID20561808

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8857

Ethyl acetate

C4H8O2

CONDITIONS

反应条件

温度: 100 °C

PROCEDURE

实验过程

17.8 g of 1-(2,4,6-trichlorophenyl)-3-{3-[2-(2,4-di-tert-amylphenoxy)butyramido]benzamido}-4-bromo-5-oxo-2-pyrazoline and 10 g of 4-acetamidopyrazole were well mixed in a mortar and heated at 100° C. for 2 hours. To the reaction mixture, 200 cc of ethyl acetate was added and the mixture was washed several times with water. The ethyl acetate layer was dried with anhydrous sodium sulfate and concentrated. Upon crystallization of the residue from a solvent mixture of acetonitrile and ethyl acetate, 12.1 g of Coupler (1) was obtained. The melting point of the coupler was 135° to 141° C.

WORKUP

后处理

washthe mixture was washed several times with water
dry with materialThe ethyl acetate layer was dried with anhydrous sodium sulfate
concentrationconcentrated
customUpon crystallization of the residue
additionfrom a solvent mixture of acetonitrile and ethyl acetate, 12.1 g of Coupler (1)
customwas obtained
customwas 135° to 141° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e03b12032fce4a3884916c517b2facce
来源数据集: uspto-grants-1981_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04301235
来源说明: uspto-grants-1981_11

反应 SMILES

[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[C:4]([Cl:9])[C:3]=1[N:10]1[C:14](=[O:15])[CH:13](Br)[C:12]([NH:17][C:18](=[O:48])[C:19]2[CH:24]=[CH:23][CH:22]=[C:21]([NH:25][C:26](=[O:47])[CH:27]([O:30][C:31]3[CH:36]=[CH:35][C:34]([C:37]([CH2:40][CH3:41])([CH3:39])[CH3:38])=[CH:33][C:32]=3[C:42]([CH2:45][CH3:46])([CH3:44])[CH3:43])[CH2:28][CH3:29])[CH:20]=2)=[N:11]1.[C:49]([NH:52][C:53]1[CH:54]=[N:55][NH:56][CH:57]=1)(=[O:51])[CH3:50]>C(OCC)(=O)C>[C:49]([NH:52][C:53]1[CH:54]=[N:55][N:56]([CH:13]2[C:14](=[O:15])[N:10]([C:3]3[C:2]([Cl:1])=[CH:7][C:6]([Cl:8])=[CH:5][C:4]=3[Cl:9])[N:11]=[C:12]2[NH:17][C:18](=[O:48])[C:19]2[CH:24]=[CH:23][CH:22]=[C:21]([NH:25][C:26](=[O:47])[CH:27]([O:30][C:31]3[CH:36]=[CH:35][C:34]([C:37]([CH2:40][CH3:41])([CH3:39])[CH3:38])=[CH:33][C:32]=3[C:42]([CH2:45][CH3:46])([CH3:44])[CH3:43])[CH2:28][CH3:29])[CH:20]=2)[CH:57]=1)(=[O:51])[CH3:50]