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【结 构 式】 
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【分子编号】16848 【品名】1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine; 2-[4-(3-chloropropyl)piperazino]phenyl methyl ether 【CA登记号】 |
【 分 子 式 】C14H21ClN2O 【 分 子 量 】268.78632 【元素组成】C 62.56% H 7.87% Cl 13.19% N 10.42% O 5.95% |
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：(IV)As shown in Scheme 21591401a, the Pechmann reaction of 2-methoxy-hydroquinone (I) with 2-methyl-3-oxobutanoic acid ethyl ester (II) in 75% sulfuric acid gives 6-hydroxy-7-methoxy-3,4-dimethyl-2H-1-benzopyran-2-one (III), which is condensed with 1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazin (IV) in the presence of K2CO3 and KI in ethanol yielding the target product as free base.
| 【1】 Noldner, M.; Hauer, H.; Chatterjee, S.S.; Anseculin Hydrochloride. Drugs Fut 1996, 21, 8, 779. |
| 【2】 Chatterjee, S.S.; Noldner, M.; Hauer, H. (Willmar Schwabe GmbH); Benzopyranones, a method for producing them and uses therefor. DE 4111861; JP 1994506922; US 5428038; WO 9218493 . |
| 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) | 16845 | 2-methoxy-1,4-benzenediol | 824-46-4 | C7H8O3 | 详情 | 详情 |
| (II) | 10362 | ethyl 2-methyl-3-oxobutanoate; ethyl 2-methylacetoacetate | 609-14-3 | C7H12O3 | 详情 | 详情 |
| (III) | 16847 | 6-hydroxy-7-methoxy-3,4-dimethyl-2H-chromen-2-one | C12H12O4 | 详情 | 详情 | |
| (IV) | 16848 | 1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine; 2-[4-(3-chloropropyl)piperazino]phenyl methyl ether | C14H21ClN2O | 详情 | 详情 |
Extended Information