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【结 构 式】 
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【分子编号】25899 【品名】3-ethyl-1,2,4-benzotriazine 【CA登记号】 |
【 分 子 式 】C9H9N3 【 分 子 量 】159.19068 【元素组成】C 67.91% H 5.7% N 26.4% |
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：(VI)The reaction of phenylhydrazine (I) with propionaldehyde (II) gives the corresponding hydrazone (III), which is condensed with phenyldiazoninum chloride (IV) to yield the formazan (V). The cyclization of (V) by means of BF3 in hot acetic acid affords 3-ethyl-1,2,4-benzotriazine (VI), which is finally oxidized to the target dioxide by means of H2O2 and trifluoroacetic anhydride in dichloromethane.
| 【1】 Kelson, A.B.; et al.; 1,2,4-Benzotriazine 1,4-dioxides. An important class of hypoxic cytotoxins with antitumor activity. Anti-Cancer Drug Des 1998, 13, 6, 575. |
| 【2】 Brown, M.J. (Leland Stanford Junior University); Method of tumor treatment. EP 0649658 . |
| 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) | 11818 | Phenyl hydrazine; 1-Phenylhydrazine | 100-63-0 | C6H8N2 | 详情 | 详情 |
| (II) | 15966 | propionaldehyde | 123-38-6 | C3H6O | 详情 | 详情 |
| (III) | 25896 | propanal N-phenylhydrazone | C9H12N2 | 详情 | 详情 | |
| (IV) | 25897 | benzenediazonium chloride | C6H5ClN2 | 详情 | 详情 | |
| (V) | 25898 | 1-[(E)-2-phenyldiazenyl]-1-propanone N-phenylhydrazone | C15H16N4 | 详情 | 详情 | |
| (VI) | 25899 | 3-ethyl-1,2,4-benzotriazine | C9H9N3 | 详情 | 详情 |
Extended Information