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【结 构 式】 
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【分子编号】14876 【品名】4-[[3,5-di(tert-butyl)-4-hydroxyphenyl](hydroxy)methyl]-2-methyl-1,2-oxazinan-3-one 【CA登记号】 |
【 分 子 式 】C20H31NO4 【 分 子 量 】349.47048 【元素组成】C 68.74% H 8.94% N 4.01% O 18.31% |
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：(V)The 2,4-dibromobutyrylchloride (I) was reacted with N-methylhydroxylamine (II) in methylene chloride with NaOH to yield 4-bromo-2-methyl-5,6-dihydro-2H-1,2-oxazin-3(4H)-one (III). The reaction of (III) and zinc with 3,5-di-tert-butyl-4-hydroxybenzaldehyde (IV) underwent Reformatsky-type reaction. Dehydration of the hydroxymethyl intermediate (V) in refluxing toluene with p-toluenesulfonic acid afforded BF-389.
| 【1】 Lee, S.J.; Frierson, M.R. III, Wong, S.; Naismith, R.W.; BF-389. Drugs Fut 1992, 17, 1, 12. |
| 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) | 20577 | 2,4-dibromobutanoyl chloride | C4H5Br2ClO | 详情 | 详情 | |
| (II) | 12690 | (Hydroxyamino)methane; N-Methylhydroxylamine | 593-77-1 | CH5NO | 详情 | 详情 |
| (III) | 14874 | 4-bromo-2-methyl-1,2-oxazinan-3-one | C5H8BrNO2 | 详情 | 详情 | |
| (IV) | 14875 | 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzaldehyde; 3,5-di(tert-butyl)-4-hydroxybenzaldehyde; 3,5-Di-tert-butyl-4-hydroxybenzaldehyde | 1620-98-0 | C15H22O2 | 详情 | 详情 |
| (V) | 14876 | 4-[[3,5-di(tert-butyl)-4-hydroxyphenyl](hydroxy)methyl]-2-methyl-1,2-oxazinan-3-one | C20H31NO4 | 详情 | 详情 |
Extended Information