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【结 构 式】 
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【分子编号】24718 【品名】N-(4-amino-3-methyl-1H-pyrazol-5-yl)-N-methylamine 【CA登记号】 |
【 分 子 式 】C5H10N4 【 分 子 量 】126.16136 【元素组成】C 47.6% H 7.99% N 44.41% |
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：(II)The reductive cleavage of 4-phenylazo-3-methyl-5-methylaminopyrazole (I) with H2 over RaNi in ethanol gives 4-amino-3-methyl-5-methylaminopyrazole (II), which is acylated with ethoxycarbonylacetyl chloride (III) in toluene yielding 4-(ethoxycarbonylacetylamino)-3-methyl-5-methylaminopyrazole (IV). The cyclization of (IV) by means of sodium ethoxide in ethanol affords 4,8-dihydro-3,8-dimethylpyrazolo[3,4b][1,4]diazepine-5,7(1H,6H) dione (V), which is finally phenylated by a treatment with powdered Cu and potassium acetate in refluxing bromobenzene
| 【1】 Rackur, G.; Hoffmann, I. (Aventis SA); 4-Aryl-5,6,7,8-tetrahydropyrazolo[3,4-b]-[1,5]diazepine-1H,4H-5,7-diones and medicaments containing same. DD 152936; DE 2932835; EP 0024038; EP 0050376; JP 5603977; US 4302468 . |
| 【2】 Castaner, J.; Prous, J.; Razobazam. Drugs Fut 1986, 11, 6, 465. |
| 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) | 24717 | N,3-dimethyl-4-[(E)-2-phenyldiazenyl]-1H-pyrazol-5-amine | C11H13N5 | 详情 | 详情 | |
| (II) | 24718 | N-(4-amino-3-methyl-1H-pyrazol-5-yl)-N-methylamine | C5H10N4 | 详情 | 详情 | |
| (III) | 13188 | ethyl 3-chloro-3-oxopropanoate; 2-Ethoxycarbonylacetyl chloride; Ethyl malonyl chloride | 36239-09-5 | C5H7ClO3 | 详情 | 详情 |
| (IV) | 24720 | ethyl 3-[[3-methyl-5-(methylamino)-1H-pyrazol-4-yl]amino]-3-oxopropanoate | C10H16N4O3 | 详情 | 详情 | |
| (V) | 24721 | 3,8-dimethyl-4,8-dihydropyrazolo[3,4-b][1,4]diazepine-5,7(1H,6H)-dione | C8H10N4O2 | 详情 | 详情 | |
| (VI) | 13365 | Monobromobenzene; 1-Bromobenzene；Phenylbromide;bromobenzene | 108-86-1 | C6H5Br | 详情 | 详情 |
Extended Information