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【结 构 式】 
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【分子编号】64571 【品名】{3-[(E)-3-(allyloxy)-3-oxo-1-propenyl]phenyl}(difluoro)methylphosphonic acid 【CA登记号】 |
【 分 子 式 】C13H13F2O5P 【 分 子 量 】318.2137884 【元素组成】C 49.07% H 4.12% F 11.94% O 25.14% P 9.73% |
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：(XIII)Wittig condensation of aldehyde (X) with the phosphorus ylide generated from phosphonium salt (XI) provides the polymer-bound cinnamate derivative (XII). Simultaneous cleavage of the support from (XII) and phosphonate deprotection to provide phosphonic acid (XIII) is achieved using bromotrimethylsilane. Acid (XIII) is then applied to an anion exchange resin and eluted with ammonium hydroxide to furnish the corresponding ammonium salt (1).
| 【1】 Hum, G.; Lee, J.; Taylor, S.D.; Synthesis of [difluoro-(3-alkenylphenyl)-methyl]-phosphonic acids on non-crosslinked polystyrene and their evaluation as inhibitors of PTP1B. Bioorg Med Chem Lett 2002, 12, 23, 3471. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IX) | 64574 | [2-(allyloxy)-2-oxoethyl](triphenyl)phosphonium bromide | C23H22BrO2P | 详情 | 详情 | |
| (X) | 64573 | ethyl hydrogen difluoro(3-formylphenyl)methylphosphonate | C10H11F2O4P | 详情 | 详情 | |
| (XII) | 64575 | allyl (E)-3-{3-[[ethoxy(hydroxy)phosphoryl](difluoro)methyl]phenyl}-2-propenoate | C15H17F2O5P | 详情 | 详情 | |
| (XIII) | 64571 | {3-[(E)-3-(allyloxy)-3-oxo-1-propenyl]phenyl}(difluoro)methylphosphonic acid | C13H13F2O5P | 详情 | 详情 |
Extended Information