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【结 构 式】 
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【分子编号】41366 【品名】4-(4-pyridinylmethyl)-1,2-dihydro-1-phthalazinol 【CA登记号】 |
【 分 子 式 】C14H13N3O 【 分 子 量 】239.27684 【元素组成】C 70.28% H 5.48% N 17.56% O 6.69% |
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)Condensation of phthalic anhydride (I) with 4-methylpyridine (II) and heating with NH2-NH2 hydrate yields phthalazine (III) which is converted into chloro derivative (IV) by directly heating in presence of POCl3 or alternatively by heating a solution of (IV) in CH3CN with HCl/dioxane and POCl3. Phthalazine (III) is added to a melt formed by 4-chloroaniline (V), P2O5 and Et3N.HCl to afford the desired product. Alternatively the final product is obtained by heating (V) with (IV) in EtOH or 1-butanol.
| 【1】 DE 1061788; GB 871753 . |
| 【2】 Altmann, K.-H.; Mett, H.; Wood, J.; Stover, D.R.; Frei, J.; Bold, G.; Traxler, P. (Novartis AG); Phthalazines with angiogenesis inhibiting activity. EP 0970070; WO 9835958 . |
| 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) | 11900 | 2-Benzofuran-1,3-dione;1,2-Benzenedicarboxylic Anhydride;1,2-BENZENE DICARBOXYLIC ACID ANHYDRIDE;1,2-BENZENEDICARBONIC ACID, ANHYDRIDE;1,3-DIOXOPHTHALAN;1,3-ISOBENZOFURANDIONE;o-phthalic anhydride; Phthalic anhydride | 85-44-9 | C8H4O3 | 详情 | 详情 |
| (II) | 31150 | 4-methylpyridine | 108-89-4 | C6H7N | 详情 | 详情 |
| (III) | 41366 | 4-(4-pyridinylmethyl)-1,2-dihydro-1-phthalazinol | C14H13N3O | 详情 | 详情 | |
| (IV) | 41367 | 1-chloro-4-(4-pyridinylmethyl)phthalazine | C14H10ClN3 | 详情 | 详情 | |
| (V) | 12034 | 4-Chlorophenylamine; 4-Chloroaniline; p-Chloroaniline | 106-47-8 | C6H6ClN | 详情 | 详情 |
Extended Information