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【结 构 式】 
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【分子编号】60959 【品名】1-isothiocyanatoethane; ethyl isothiocyanate 【CA登记号】 |
【 分 子 式 】C3H5NS 【 分 子 量 】87.14544 【元素组成】C 41.35% H 5.78% N 16.07% S 36.8% |
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)This compound can be obtained by two related ways (1,2): 1) The Grignard reaction of 2-amino-5-chlorobenzophenone (I) with methylmagnesium iodide in ether gives 2-amino-5-chloromethylbenzhydrol (II), which by reaction with ethyl isothiocyanate (III) in ether yields 2-(omega-ethylthioureido)-5-chloro-alpha-methylbenzhydrol (IV). Finally this compound is treated with mercuric oxide in refluxing ethanol. 2) The reaction of (II) with ethyl isocyanate (V) in ether gives 2-(omega-ethylureido)-5-chloro-alpha-methylbenzhydrol (VI), which is finally cyclized by treatment with aqueous 48% HBr at 100 C.
| 【1】 Blancafort, P.; Serradell, M.N.; Castaner, J.; Neuman, M.; Etifoxine hydrochloride. Drugs Fut 1981, 6, 9, 550. |
| 【2】 Kuch, H.; et al. (Farbwerke Hoechst A.G.); BE 707013; CA 870620; CH 502366; CH 522671; CH 532603; CH 532604; CH 534174; DE 1670772; FR 1571287; FR M7358; GB 1179856; GB 1197479; JP 7125385; JP 7126945; JP 7126946; JP 7126947; NL 6715652; US 3725404; ZA 6706887 . |
| 【3】 Hoffman, I.; et al.; 2-Ethylamino-6-chloro-4-methyl-4-phenyl-4H-3,1,benzoxazine, a new psychotropic compound. Arzneim-Forsch 1970, 20, 7, 975. |
| 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) | 10279 | (2-Amino-5-chlorophenyl)(phenyl)methanone; 2-Amino-5-chlorobenzophenone | 719-59-5 | C13H10ClNO | 详情 | 详情 |
| (II) | 60956 | 1-(2-amino-5-chlorophenyl)-1-phenyl-1-ethanol | C14H14ClNO | 详情 | 详情 | |
| (III) | 60959 | 1-isothiocyanatoethane; ethyl isothiocyanate | C3H5NS | 详情 | 详情 | |
| (IV) | 60958 | N-[4-chloro-2-(1-hydroxy-1-phenylethyl)phenyl]-N'-ethylthiourea | C17H19ClN2OS | 详情 | 详情 | |
| (V) | 28738 | ethyl isocyanate | 109-90-0 | C3H5NO | 详情 | 详情 |
| (VI) | 60957 | N-[4-chloro-2-(1-hydroxy-1-phenylethyl)phenyl]-N'-ethylurea | C17H19ClN2O2 | 详情 | 详情 |
Extended Information