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【结 构 式】 
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【分子编号】45935 【品名】3-hydroxy-2-(1-hydroxyethyl)-6-methyl-4H-pyran-4-one 【CA登记号】 |
【 分 子 式 】C8H10O4 【 分 子 量 】170.165 【元素组成】C 56.47% H 5.92% O 37.61% |
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)Treatment of allomaltol (I) with acetaldehyde (II) and NaOH in H2O affords pyranone derivative (III), which is benzylated by means of benzyl bromide (IV) and NaOH in refluxing H2O/MeOH to provide compound (V). O-Methylation of (V) by reaction with NaH and MeI in DMF furnishes methoxyethyl derivative (VI), which is then heated with methylamine and NaOH in EtOH/H2O to yield pyridinone derivative (VII). Finally, the benzyl group of (VII) is removed by hydrogenation over Pd/C in MeOH to give the desired product.
| 【1】 Tilbrook, G.S.; Hider, R.C.; Liu, Z. (BTG International Ltd.); Novel orally active iron (III) chelators. WO 9854138 . |
| 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) | 45934 | 5-hydroxy-2-methyl-4H-pyran-4-one | C6H6O3 | 详情 | 详情 | |
| (II) | 11974 | Acetaldehyde | 75-07-0 | C2H4O | 详情 | 详情 |
| (III) | 45935 | 3-hydroxy-2-(1-hydroxyethyl)-6-methyl-4H-pyran-4-one | C8H10O4 | 详情 | 详情 | |
| (IV) | 12912 | 1-(Bromomethyl)benzene; Alpha-bromotoluene | 100-39-0 | C7H7Br | 详情 | 详情 |
| (V) | 45936 | 3-(benzyloxy)-2-(1-hydroxyethyl)-6-methyl-4H-pyran-4-one | C15H16O4 | 详情 | 详情 | |
| (VI) | 45937 | 3-(benzyloxy)-2-(1-methoxyethyl)-6-methyl-4H-pyran-4-one | C16H18O4 | 详情 | 详情 | |
| (VII) | 45938 | 3-(benzyloxy)-2-(1-methoxyethyl)-1,6-dimethyl-4(1H)-pyridinone | C17H21NO3 | 详情 | 详情 |
Extended Information