【结 构 式】 |
【分子编号】44250 【品名】3-(tert-butyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine; 3-(tert-butyl)-1-(3-nitrophenyl)-1H-pyrazol-5-ylamine 【CA登记号】 |
【 分 子 式 】C13H16N4O2 【 分 子 量 】260.2958 【元素组成】C 59.99% H 6.2% N 21.52% O 12.29% |
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:(III)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