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【结 构 式】

【分子编号】39972

【品名】2-(2-chloroethyl)-2-azabicyclo[2.2.2]octane

【CA登记号】

【 分 子 式 】C9H16ClN

【 分 子 量 】173.68548

【元素组成】C 62.24% H 9.29% Cl 20.41% N 8.06%

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:(I)

The reaction of N-(2-chloroethyl)-2-azabicyclo[2.2.2]octane (I) with diphenylacetonitrile (II) by means of KOH in refluxing methyl ethyl ketone gives 4-[2-azabicyclo[2.2.2]octan-2-yl]-2,2-diphenylbutyronitrile (III), which by reaction with NaN3 in DMF at 125 C is converted into 5-[1,1-diphenyl-3-(2-azabicyclo[2.2.2]octan-2-yl)propyl]-1H-tetrazole (IV). Finally, this compound is treated with refluxing acetic anhydride.

1 Adelstein, G.W.; Yen, C.H.; Dajani, E.Z.; Bianchi, R.G.; 3,3-Diphenyl-3-(2-alkyl-1,3,4-ozadiazol-5-yl)propylcycloalkylamine, a novel series of antidiarrheal agents. J Med Chem 1976, 19, 10, 1221-25.
2 Adelstein, G.W. (Pharmacia Corp.); 1,1-Diaryl-1-oxadiazolalkylamines. DE 2514183; DE 2514229; FR 2265367; FR 2265376; GB 1456943; GB 1494943; JP 50135081; JP 50135086; US 3917615 .
3 Castaner, J.; Hillier, K.; Nufenoxole. Drugs Fut 1978, 3, 7, 533.
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) 39972 2-(2-chloroethyl)-2-azabicyclo[2.2.2]octane C9H16ClN 详情 详情
(II) 14493 alpha-phenylbenzeneacetonitrile; 2,2-diphenylacetonitrile; Diphenylacetonitrile 86-29-3 C14H11N 详情 详情
(III) 39973 4-(2-azabicyclo[2.2.2]oct-2-yl)-2,2-diphenylbutanenitrile C23H26N2 详情 详情
(IV) 39974 2-[3,3-diphenyl-3-(1H-1,2,3,4-tetraazol-5-yl)propyl]-2-azabicyclo[2.2.2]octane C23H27N5 详情 详情
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