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【结 构 式】 
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【分子编号】58898 【品名】dimethyl 2-(4-hydroxybenzyl)malonate 【CA登记号】 |
【 分 子 式 】C12H14O5 【 分 子 量 】238.24016 【元素组成】C 60.5% H 5.92% O 33.58% |
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)Knoevenagel condensation of 4-hydroxybenzaldehyde (I) with dimethyl malonate in the presence of pyridinium acetate affords the benzylidene malonate (II), which is further hydrogenated over Pd/C to furnish dimethyl (4-hydroxybenzyl)malonate (III). Then, Mitsunobu coupling between phenol (III) and 4-chlorophenethyl alcohol (IV) gives rise to the title compound.
| 【1】 Catini, R.; Brunetti, T.; Arduini, A.; et al.; New phenylalkylcarboxylate derivatives as hypoglycemic and hypolipidemic agents. Drugs Fut 2002, 27, Suppl. A. |
| 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) | 13433 | 4-Hydroxybenzaldehyde; p-Hydroxybenzaldehyde | 123-08-0 | C7H6O2 | 详情 | 详情 |
| (II) | 58897 | 2-[(4-Hydroxyphenyl)methylene] propanedioic acid dimethyl ester; 4-Hydroxy benzylidene malonic acid dimethyl ester; Dimethyl 2-[(4-hydroxyphenyl)methylene]propane dioate | 51947-45-6 | C12H12O5 | 详情 | 详情 |
| (III) | 58898 | dimethyl 2-(4-hydroxybenzyl)malonate | C12H14O5 | 详情 | 详情 | |
| (IV) | 33783 | 2-(4-chlorophenyl)-1-ethanol | 1875-88-3 | C8H9ClO | 详情 | 详情 |
Extended Information