【结 构 式】 |
【分子编号】23096 【品名】3-(hexyloxy)-2-hydroxybenzaldehyde 【CA登记号】 |
【 分 子 式 】C13H18O3 【 分 子 量 】222.28412 【元素组成】C 70.24% H 8.16% O 21.59% |
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)The demethylation ot o-vanillin (I) with AlCl3 dissolved in pyridine gives 2,3 dihydroxybenzaldehyde (II). Subsequent alkylation by means of hexyl bromide with NaH gives 3-hexyloxy-2-hydroxybenzaldehyde (III), which is then condensed with malononitrile and piperidine, yielding 3-cyano-8-hexyloxycromen-2-one (IV), a needle-like yellow crystalline substance. Finally, compound (IV) is treated with sodium azide and AlCl3 in refluxing THF, yielding the formation of the tetrazole ring.
【1】 Tasaka, K.; KP-136. Drugs Fut 1988, 13, 10, 915. |
中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
---|---|---|---|---|---|---|
10158 | Piperidine | 110-89-4 | C5H11N | 详情 | 详情 | |
11108 | n-Hexyl bromide; 1-Bromohexane | 111-25-1 | C6H13Br | 详情 | 详情 | |
(I) | 12620 | o-Vanillin; 2-Hydroxy-3-methoxybenzaldehyde | 148-53-8 | C8H8O3 | 详情 | 详情 |
(II) | 12380 | 2,3-Dihydroxybenzaldehyde | 24677-78-9 | C7H6O3 | 详情 | 详情 |
(III) | 23096 | 3-(hexyloxy)-2-hydroxybenzaldehyde | C13H18O3 | 详情 | 详情 | |
(IV) | 23097 | 8-(hexyloxy)-2-oxo-2H-chromene-3-carbonitrile | C16H17NO3 | 详情 | 详情 |
Extended Information