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【结 构 式】

【分子编号】60958

【品名】N-[4-chloro-2-(1-hydroxy-1-phenylethyl)phenyl]-N'-ethylthiourea

【CA登记号】

【 分 子 式 】C17H19ClN2OS

【 分 子 量 】334.86944

【元素组成】C 60.98% H 5.72% Cl 10.59% N 8.37% O 4.78% S 9.58%

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)

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