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【结 构 式】 
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【分子编号】64847 【品名】2-(1,3-benzoxazol-2-yl)-1-ethanamine; 2-(1,3-benzoxazol-2-yl)ethylamine 【CA登记号】 |
【 分 子 式 】C9H10N2O 【 分 子 量 】162.19128 【元素组成】C 66.65% H 6.21% N 17.27% O 9.86% |
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：(VI)Treatment of beta-alanine (I) with phthalic anhydride (II) in refluxing toluene provides phthalimidopropionic acid (III), which upon cyclocondensation with 2-aminophenol (IV) in hot polyphosphoric acid provides the benzoxazole derivative (V). Hydrazinolysis of phthalimide (V) affords the primary amine (VI), which is finally condensed with pyrazole-1-carboxamidine hydrochloride (VII) in DMF to produce the target guanidine compound.
| 【1】 López-Tudanca, P.; Labeaga, L.; Innerárity, A.; Alonso-Cires, L.; Tapia, I.; Mosquera, R.; Orjales, A.; Synthesis and pharmacological characterization of a new benzoxazole derivative as a potent 5-HT3 receptor agonist. Bioorg Med Chem 2003, 11, 13, 2709. |
| 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) | 17022 | beta-Alanine; 3-aminopropionic acid | 107-95-9 | C3H7NO2 | 详情 | 详情 |
| (II) | 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 |
| (III) | 53389 | 3-Phthalimidopropionic acid; Phthalyl-beta-alanine | 3339-73-9 | C11H9NO4 | 详情 | 详情 |
| (IV) | 18663 | o-aminophenol; 2-aminophenol | 95-55-6 | C6H7NO | 详情 | 详情 |
| (V) | 64846 | 2-[2-(1,3-benzoxazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione | C17H12N2O3 | 详情 | 详情 | |
| (VI) | 64847 | 2-(1,3-benzoxazol-2-yl)-1-ethanamine; 2-(1,3-benzoxazol-2-yl)ethylamine | C9H10N2O | 详情 | 详情 | |
| (VII) | 15983 | 1H-pyrazole-1-carboximidamide | 4023-00-1 | C4H6N4 | 详情 | 详情 |
Extended Information