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【结 构 式】 
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【分子编号】53316 【品名】1-{[(tert-butylamino)oxy]methyl}benzene; O-benzyl-N-(tert-butyl)hydroxylamine 【CA登记号】n/a |
【 分 子 式 】C11H17NO 【 分 子 量 】179.26212 【元素组成】C 73.7% H 9.56% N 7.81% O 8.93% |
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)The reaction of 14C-labeled acetone (I) with O-benzylhydroxylamine (II) and pyridine in refluxing ethanol gives the corresponding oxime (III), which is methylated with MeLi and BF3.Et2O in toluene to yield labeled N-tert-butyl-O-benzylhydroxylamine (IV). The deprotection of (IV) by hydrogenation with H2 over Pd/C in methanol affords N-tert-butylhydroxylamine (V), which is finally condensed with benzaldehyde 2,4-disulfonic acid sodium salt (VI) in HOAc/water to give rise to the target imine oxide.
| 【1】 Johansson, R.; Werner, R.; Syntheses of two [14C]-labeled disodium 4-[(N-tert-butylimino)methyl]benzene-1,3-disulfonate N-oxides. J Label Compd Radiopharm 2000, 43, 13, 1265. |
| 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) | 14640 | O-benzylhydroxylamine; 1-[(aminooxy)methyl]benzene | 622-33-3 | C7H9NO | 详情 | 详情 |
| (II) | 23199 | 2-Propanone; Acetone; beta-ketopropane; chevron acetone;propan-2-one； Dimethyl formaldehyde; Dimethyl ketone; dimethylketal; Ketone propane; Methyl ketone; Propanone; Pyroacetic acid; Pyroacetic ether | 67-64-1 | C3H6O | 详情 | 详情 |
| (II) | 53313 | acetone | 67-64-1 | C3H6O | 详情 | 详情 |
| (III) | 53314 | acetone O-benzyloxime | n/a | C10H13NO | 详情 | 详情 |
| (III) | 53315 | acetone O-benzyloxime | n/a | C10H13NO | 详情 | 详情 |
| (IV) | 53316 | 1-{[(tert-butylamino)oxy]methyl}benzene; O-benzyl-N-(tert-butyl)hydroxylamine | n/a | C11H17NO | 详情 | 详情 |
| (IV) | 53317 | O-benzyl-N-(tert-butyl)hydroxylamine; 1-{[(tert-butylamino)oxy]methyl}benzene | n/a | C11H17NO | 详情 | 详情 |
| (V) | 35455 | N-(tert-butyl)hydroxylamine; 2-(hydroxyamino)-2-methylpropane | C4H11NO | 详情 | 详情 | |
| (V) | 53318 | 2-(hydroxyamino)-2-methylpropane; N-(tert-butyl)hydroxylamine | 16649-50-6 | C4H11NO | 详情 | 详情 |
| (VI) | 37311 | Benzaldehyde-2,4-disulfonic acid disodium; disodium 4-formyl-1,3-benzenedisulfonate | 33513-44-9 | C7H4Na2O7S2 | 详情 | 详情 |
Extended Information