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【结 构 式】 
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【分子编号】39820 【品名】4-methoxybenzyl 2-(diethoxyphosphoryl)-2-[[(E)-benzylidene]amino]acetate 【CA登记号】 |
【 分 子 式 】C21H26NO6P 【 分 子 量 】419.414342 【元素组成】C 60.14% H 6.25% N 3.34% O 22.89% P 7.39% |
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)3) By reaction of 4-methoxybenzylamine (I) with methyl isothiocyanate (B) in ether to yield N-(4-methoxybenzyl)-N'-methylthiourea (III), which is then methylated with MeI in refluxing methanol affording N-(4-methoxybenzyl)-N',S-dimethylisothiourea (IV). Finally, this compound is treated first with methylamine in refluxing methanol and then with H2SO4.
| 【1】 Castaner, J.; Loren, J.G.; Cefoxitin. Drugs Fut 1978, 3, 6, 434. |
| 【2】 Christensen, B.G.; Ratcliffe, R.W.; Total synthesis of beta-lactam antibiotics. I. alpha-Thioformamido-diethylphosphonioacetates. Tetrahedron Lett 1973, 46, 4645-48. |
| 【3】 Christensen, B.G.; Ratcliffe, R.W.; Total synthesis of beta-lactam antibiotics. II. (rac)-Cephalotin. Tetrahedron Lett 1973, 46, 4649-52. |
| 【4】 Christensen, B.G.; Ratcliffe, R.W. (Merck & Co., Inc.); 7-Azido-cephalosporin compounds and their preparation. DE 2365406; FR 2182953; GB 1424373; JP 49014488 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (B) | 10498 | Benzaldehyde;Benzoic aldehyde;Phenylmethanal | 100-52-7 | C7H6O | 详情 | 详情 |
| (A) | 12714 | diethyl phosphonate; diethyl phosphite | 762-04-9 | C4H11O3P | 详情 | 详情 |
| (I) | 39815 | 1,3,5-tribenzyl-1,3,5-triazinane | 2547-66-2 | C24H27N3 | 详情 | 详情 |
| (II) | 39816 | diethyl (benzylamino)methylphosphonate | C12H20NO3P | 详情 | 详情 | |
| (III) | 39817 | diethyl aminomethylphosphonate | C5H14NO3P | 详情 | 详情 | |
| (IV) | 39818 | diethyl [[(E)-benzylidene]amino]methylphosphonate | 50917-73-2 | C12H18NO3P | 详情 | 详情 |
| (V) | 39819 | 1-[[(chlorocarbonyl)oxy]methyl]-4-methoxybenzene | C9H9ClO3 | 详情 | 详情 | |
| (VI) | 39820 | 4-methoxybenzyl 2-(diethoxyphosphoryl)-2-[[(E)-benzylidene]amino]acetate | C21H26NO6P | 详情 | 详情 | |
| (VII) | 39821 | 4-methoxybenzyl 2-amino-2-(diethoxyphosphoryl)acetate | C14H22NO6P | 详情 | 详情 | |
| (VIII) | 39822 | O-ethyl thioformate | C3H6OS | 详情 | 详情 | |
| (IX) | 39823 | 4-methoxybenzyl 2-(diethoxyphosphoryl)-2-(thioformylamino)acetate | C15H22NO6PS | 详情 | 详情 | |
| (X) | 39824 | 3-chloro-2-oxopropyl acetate | 40235-68-5 | C5H7ClO3 | 详情 | 详情 |
| (XI) | 39825 | 4-methoxybenzyl 5-[(acetoxy)methyl]-6H-1,3-thiazine-4-carboxylate | C16H17NO5S | 详情 | 详情 | |
| (XII) | 39826 | 2-azidoacetyl chloride | C2H2ClN3O | 详情 | 详情 | |
| (XIII) | 39827 | 4-methoxybenzyl (6R,7R)-3-[(acetoxy)methyl]-7-azido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C18H18N4O6S | 详情 | 详情 | |
| (XIV) | 39828 | 4-methoxybenzyl (6R,7R)-3-[(acetoxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C18H20N2O6S | 详情 | 详情 | |
| (XV) | 39829 | 4-methoxybenzyl (6R,7R)-3-[(acetoxy)methyl]-7-[[(E)-(4-nitrophenyl)methylidene]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C25H23N3O8S | 详情 | 详情 | |
| (C) | 18184 | 4-Nitrobenzaldehyde | 555-16-8 | C7H5NO3 | 详情 | 详情 |
Extended Information