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【结 构 式】 
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【分子编号】46611 【品名】7-(3-chloropropoxy)-2-hydroxy-2,3-dihydro-4H-chromen-4-one 【CA登记号】 |
【 分 子 式 】C12H13ClO4 【 分 子 量 】256.68552 【元素组成】C 56.15% H 5.1% Cl 13.81% O 24.93% |
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)Since this synthetic method did not allow the scale-up preparation, mainly due to safety concerns regarding the use of sodium (methylsulfinyl)methyde, an improved and scalable procedure was further developed. Claisen condensation of acetophenone (III) with ethyl formate in the presence of sodium methoxide produced the 2-hydroxychromanone (XIII). This was condensed with formaldehyde, employing sodium acetate as the catalyst, and the intermediate 3-(hydroxymethyl)-2-hydroxychromanone (XIV) was subsequently dehydrated by treatment with HCl to give (V).
| 【1】 Bolos, J.; et al.; A new and efficient synthesis of 3-(hydroxymethyl)-4H-chromen-4-ones. J Heterocycl Chem 2000, 37, 5, 1203. |
| 【2】 Princep, M.; Guglietta, A.; Bolos, J.; Abaperidone Hydrochloride. Drugs Fut 2001, 26, 4, 335. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (III) | 26820 | 1-[4-(3-chloropropoxy)-2-hydroxyphenyl]-1-ethanone | C11H13ClO3 | 详情 | 详情 | |
| (V) | 26822 | 7-(3-chloropropoxy)-3-(hydroxymethyl)-4H-chromen-4-one | C13H13ClO4 | 详情 | 详情 | |
| (XIII) | 46611 | 7-(3-chloropropoxy)-2-hydroxy-2,3-dihydro-4H-chromen-4-one | C12H13ClO4 | 详情 | 详情 | |
| (XIV) | 46612 | 7-(3-chloropropoxy)-2-hydroxy-3-(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one | C13H15ClO5 | 详情 | 详情 |
Extended Information