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【结 构 式】

【分子编号】47362

【品名】1,3,5-trihexylbenzene

【CA登记号】

【 分 子 式 】C24H42

【 分 子 量 】330.59748

【元素组成】C 87.19% H 12.81%

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)

Coupling of 1,3,5-trichlorobenzene (I) with n-hexylmagnesium bromide (II) produced the corresponding trihexylbenzene (III) (1-3). The title triiodo derivative was then obtained by iodination of (III) with either bis(trifluoroacetoxy)iodobenzene and iodine in CCl4 (1-3) or N-iodosuccinimide in the presence of trifluoromethanesulfonic acid.

1 Estep, K.G.; et al.; 1,3,5-Trialkyl-2,4,6-triiodobenzenes: Novel X-ray contrast agents for gastrointestinal imaging. J Med Chem 2000, 43, 10, 1940.
2 Josef, K.A.; Bacon, E.R.; Estep, K.G.; Baker, E.J.; Toner, J.L.; Illig, C.R.; Douty, B.D.; Lee, R.W. (Sterling Winthrop Inc.); Compsns. of alkylbenzenes and cellulose derivs. for visualization of the gastrointestinal tract. US 5385721 .
3 Josef, K.A.; Douty, B.D.; Bacon, E.R.; Illig, C.; Estep, K.G. (Sterling Winthrop Inc.); Compsns. of alkylbenzenes in film-forming materials for visualization of the gastrointestinal tract. EP 0609589; JP 1994234664; US 5334370 .
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) 47361 1,3,5-trichlorobenzene 108-70-3 C6H3Cl3 详情 详情
(II) 40736 bromo(hexyl)magnesium 3761-92-0 C6H13BrMg 详情 详情
(III) 47362 1,3,5-trihexylbenzene C24H42 详情 详情
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