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【结 构 式】 
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【分子编号】44251 【品名】N-[3-(tert-butyl)-1-(3-nitrophenyl)-1H-pyrazol-5-yl]-N'-(2,3-dichlorophenyl)urea 【CA登记号】 |
【 分 子 式 】C20H19Cl2N5O3 【 分 子 量 】448.30816 【元素组成】C 53.58% H 4.27% Cl 15.82% N 15.62% O 10.71% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(V)Aminopyrazole (III) was prepared by condensation of keto nitrile (I) with 3-nitrophenylhydrazine (II) in ethanolic HOAc. Subsequent reaction of (III) with 2,3-dichlorophenyl isocyanate (IV) in hot toluene produced the urea derivative (V). The nitro group of (V) was finally reduced to the title aniline by means of iron and acetic acid.
| 【1】 Dumas, J.; Hatoum-Mokdad, H.; Sibley, R.; et al.; 1-Phenyl-5-pyrazolyl ureas: Potent and selective p38 kinase inhibitors. Bioorg Med Chem Lett 2000, 10, 18, 2051. |
| 【2】 Ranges, G.E.; Bortolon, E.; Chau, T.; et al.; Pharmacological characterization of pyrazolyl urea p38 kinase inhibitors. 220th ACS Natl Meet (Aug 20 2000, Washington DC) 2000, Abst MEDI 149. |
| 【3】 Dumas, J.; Bobko, M.; Bhargava, A.; et al.; Synthesis and SAR of p38 kinase inhibitors from the urea class. 220th ACS Natl Meet (Aug 20 2000, Washington DC) 2000, Abst MEDI 148. |
| 【4】 Redman, A.; Smith, R.A.; Khire, U.; Wood, J.E.; Dumas, J.; Sibley, R.; Lowinger, T.B.; Scott, W.J.; Johnson, J.; Riedl, B.; Hatoum-Mokdad, H. (Bayer AG); Inhibition of p38 kinase activity using aryl and heteroaryl substd. heterocyclic ureas. WO 9932110 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 44248 | 4,4-dimethyl-3-oxopentanenitrile | 59997-51-2 | C7H11NO | 详情 | 详情 |
| (II) | 44249 | 1-(3-nitrophenyl)hydrazine | C6H7N3O2 | 详情 | 详情 | |
| (III) | 44250 | 3-(tert-butyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine; 3-(tert-butyl)-1-(3-nitrophenyl)-1H-pyrazol-5-ylamine | C13H16N4O2 | 详情 | 详情 | |
| (IV) | 28667 | 1,2-dichloro-3-isocyanatobenzene | 41195-90-8 | C7H3Cl2NO | 详情 | 详情 |
| (V) | 44251 | N-[3-(tert-butyl)-1-(3-nitrophenyl)-1H-pyrazol-5-yl]-N'-(2,3-dichlorophenyl)urea | C20H19Cl2N5O3 | 详情 | 详情 |
Extended Information