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【结 构 式】 
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【分子编号】29955 【品名】2,6-Dimethylphenyl isocyanate; 2-Isocyanato-1,3-dimethylbenzene 【CA登记号】28556-81-2 |
【 分 子 式 】C9H9NO 【 分 子 量 】147.1766 【元素组成】C 73.45% H 6.16% N 9.52% O 10.87% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号：(III)The reaction of 2,6-dimethylaniline (I) with phosgene (II) in refluxing benzene gives 2,6-dimethylphenyl isocyanate (III), which is then condensed with methylguanidine carbonate (A) by means of K2CO3 in THF and treated with HCl to obtain the corresponding hydrochloride.
| 【1】 Nouvelles amidinourees, leur preparation et leur emploi. BE 0844832 . |
| 【2】 Roberts, P.J.; Castaner, J.; Lidamidine hydrochloride. Drugs Fut 1979, 4, 3, 206. |
合成路线2
该中间体在本合成路线中的序号：(IV)The reaction of p-anisaldehyde (I) with N-isopropyl-1,3-diaminopropane (II) in refluxing toluene gives N-anisylidene-N'-isopropyl-1,3-diaminopropane (III), which is then condensed with 2,6-dimethylphenylisocyanate (IV) in refluxing dichloromethane.
| 【1】 Sulkowski, T.S.; Bergey, J.L.; Mascitti, A.A. (American Home Products Corp.); Urea derivatives, processes for preparing them and compositions containing them. EP 0007184; GB 2025406; JP 80500480; US 4224242 . |
| 【2】 Serradell, M.N.; Castaner, J.; Badia, A.; WY-42362. Drugs Fut 1984, 9, 1, 38. |
| 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) | 27251 | 4-methoxybenzaldehyde; Anisicaldehyde; p-anisaldehyde | 123-11-5 | C8H8O2 | 详情 | 详情 |
| (II) | 29953 | N-(3-aminopropyl)-N-isopropylamine; N(1)-isopropyl-1,3-propanediamine | 3360-16-5 | C6H16N2 | 详情 | 详情 |
| (III) | 29954 | N-isopropyl-N-(3-[[(Z)-(4-methoxyphenyl)methylidene]amino]propyl)amine; N(1)-isopropyl-N(3)-[(Z)-(4-methoxyphenyl)methylidene]-1,3-propanediamine | C14H22N2O | 详情 | 详情 | |
| (IV) | 29955 | 2,6-Dimethylphenyl isocyanate; 2-Isocyanato-1,3-dimethylbenzene | 28556-81-2 | C9H9NO | 详情 | 详情 |
Extended Information