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【结 构 式】 
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【分子编号】44090 【品名】5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid 【CA登记号】 |
【 分 子 式 】C12H9F3N2O2 【 分 子 量 】270.2109496 【元素组成】C 53.34% H 3.36% F 21.09% N 10.37% O 11.84% |
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：(IV)Cyclization of ethyl 2,4-dioxovalerate (I) with 3-(trifluoromethyl)phenylhydrazine (II) in a refluxing mixture of HOAc and 2-methoxyethanol produced pyrazole ester (III). After saponification of the ethyl ester group of (III), the resulting carboxylic acid (IV) was coupled to 5-aminoisoquinoline (V) by using O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate to furnish the corresponding amide.
| 【1】 Kordik, C.P.; Rosenthal, D.I.; Luo, C.; Reitz, A.B.; Vaidya, A.H.; Crooke, J.J.; Zanoni, B.C.; Lovenberg, T.W.; Wilson, S.J.; Pyrazolecarboxamide human neuropeptide Y5 receptor ligands with in vivo antifeedant activity. Bioorg Med Chem Lett 2001, 11, 17, 2287. |
| 【2】 Kordik, C.P.; Lou, C.; Zanoni, B.; et al.; Pyrazole-based antagonists of the human neuropeptide-Y5 (NPY5) receptor. 220th ACS Natl Meet (Aug 20 2000, Washington DC) 2000, Abst MEDI 304. |
| 【3】 Reitz, A.B.; Lovenberg, T.W.; Kordik, C.P. (Ortho-McNeil Pharmaceutical, Inc.); Pyrazole carboxamides useful for the treatment of obesity and other disorders. WO 0069849 . |
| 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) | 42500 | ethyl 2,4-dioxopentanoate | 615-79-2 | C7H10O4 | 详情 | 详情 |
| (II) | 44088 | 1-[3-(trifluoromethyl)phenyl]hydrazine | 368-78-5 | C7H7F3N2 | 详情 | 详情 |
| (III) | 44089 | ethyl 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylate | C14H13F3N2O2 | 详情 | 详情 | |
| (IV) | 44090 | 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid | C12H9F3N2O2 | 详情 | 详情 | |
| (V) | 44091 | 8-isoquinolinylamine; 8-isoquinolinamine | C9H8N2 | 详情 | 详情 |
Extended Information