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【结 构 式】 
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【分子编号】40060 【品名】ethyl (2E,4E,6E)-3,7-dimethyl-8-oxo-2,4,6-octatrienoate 【CA登记号】 |
【 分 子 式 】C12H16O3 【 分 子 量 】208.25724 【元素组成】C 69.21% H 7.74% O 23.05% |
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：(A)The chloromethylation of 2,3,5-trimethylanisole (II) [prepared by alkylation of 2,3,5-trimethylphenol (I) with methyl iodide] with formaldehyde and HCl gives 4-chloromethyl-2,3,5-trimethylanisole (III), which by reaction with triphenylphosphine in refluxing toluene affords 4-methoxy-2,3,6-trimethylbenzyltriphenylphosphonium chloride (IV). The Wittig reaction of (IV) with ethyl 7-formyl-3-methylocta-2,4,6-trien-1-oate (A) affords the desired compound.
| 【1】 Castaner, J.; Thorpe, P.; RO 10/9359. Drugs Fut 1977, 2, 3, 199. |
| 【2】 Bollag, W. et al.; Polyene derivatives. DE 2414619; ES 424750; FR 2223037; GB 1468401; GB 1468402 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (A) | 40060 | ethyl (2E,4E,6E)-3,7-dimethyl-8-oxo-2,4,6-octatrienoate | C12H16O3 | 详情 | 详情 | |
| (I) | 33479 | 2,3,5-trimethylphenol | 697-82-5 | C9H12O | 详情 | 详情 |
| (II) | 33480 | 1-methoxy-2,3,5-trimethylbenzene; methyl 2,3,5-trimethylphenyl ether | 20469-61-8 | C10H14O | 详情 | 详情 |
| (III) | 40058 | 4-(chloromethyl)-2,3,5-trimethylphenyl methyl ether; 2-(chloromethyl)-5-methoxy-1,3,4-trimethylbenzene | C11H15ClO | 详情 | 详情 | |
| (IV) | 40059 | (4-methoxy-2,3,6-trimethylbenzyl)(triphenyl)phosphonium chloride | C29H30ClOP | 详情 | 详情 |
Extended Information