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【结 构 式】 
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【药物名称】3-n-Butylphthalide, NBP 【化学名称】(±)-3-Butyl-2-benzofuran-1(3H)-one 【CA登记号】6066-49-5, 194085-46-6 ((R)-isomer), 3413-15-8 ((S)-isomer) 【 分 子 式 】C12H14O2 【 分 子 量 】190.24418 |
【开发单位】Chinese Academy of Medical Sciences (Originator), Institute of Materia Medica (Originator) 【药理作用】Cerebrovascular Diseases, Treatment of, NEUROLOGIC DRUGS, Stroke, Treatment of |
合成路线1
Ftalic anhydride (I) id treated with butyric anhydride (II) and sodium butyrate to obtain lactone (IV), which is hydrogenated to target compound by means H2 Nickel Raney.
| 【1】 Fang, H.J.; Chen, Y.W.; Sun, S.W.; Hu, Q.; Yang, J.S.; Studies on chemical constituents of volatile oil from Apium graveolens seeds. Chin Drug Analyt J 1984, 4, 205. |
| 【2】 Chen, Y.W.; Yang, J.S.; Isolation and determination of active components of Apium graveolens. Chin Pharm Bull 1984, 19, 670. |
| 【3】 Wang, X.-W.; 3-n-Butylphthalide. Drugs Fut 2000, 25, 1, 16. |
| 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) | 11900 | 2-Benzofuran-1,3-dione;1,2-Benzenedicarboxylic Anhydride;1,2-BENZENE DICARBOXYLIC ACID ANHYDRIDE;1,2-BENZENEDICARBONIC ACID, ANHYDRIDE;1,3-DIOXOPHTHALAN;1,3-ISOBENZOFURANDIONE;o-phthalic anhydride; Phthalic anhydride | 85-44-9 | C8H4O3 | 详情 | 详情 |
| (II) | 27683 | pentanoic anhydride | 2082-59-9 | C10H18O3 | 详情 | 详情 |
| (III) | 31907 | Sodium valerate; Sodium pentanoate | C5H9NaO2 | 详情 | 详情 | |
| (IV) | 31908 | 3-[(Z)butylidene]-2-benzofuran-1-one | 551-08-6 | C12H12O2 | 详情 | 详情 |
Extended Information