【结 构 式】 |
【分子编号】36523 【品名】(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methyl 4-methylbenzenesulfonate 【CA登记号】 |
【 分 子 式 】C16H15NO5S 【 分 子 量 】333.36484 【元素组成】C 57.65% H 4.54% N 4.2% O 24% S 9.62% |
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)The reduction of 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbaldehyde (I) with NaBH4 in methanol gives the corresponding carbinol (II), which is acylated with TsCl in pyridine yielding the tosylate (III). Finally, this compound is condensed with 1-(4-chlorophenyl)piperazine (IV) by means of K2CO3 in refluxing acetonitrile.
【1】 Brink, W.A.; Wustrow, D.J.; Belliotti, T.R.; et al.; A series of 6- and 7-piperazinyl- and -piperidinylmethylbenzoxazinones with dopamine D4 antagonist activity: Discovery of a potential atypical antipsychotic agent. J Med Chem 1999, 42, 25, 5181. |
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) | 21039 | 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbaldehyde | C9H7NO3 | 详情 | 详情 | |
(II) | 36522 | 7-(hydroxymethyl)-2H-1,4-benzoxazin-3(4H)-one | C9H9NO3 | 详情 | 详情 | |
(III) | 36523 | (3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methyl 4-methylbenzenesulfonate | C16H15NO5S | 详情 | 详情 | |
(IV) | 33593 | 1-(4-chlorophenyl)piperazine | 38869-46-4 | C10H13ClN2 | 详情 | 详情 |
Extended Information