2'-(4-[1,2-dicarba-closo-dodecaboran(12)-2-yl]phenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bi-1H-benzimidazole | 326833-23-2

• 英文名称: 2'-(4-[1,2-dicarba-closo-dodecaboran(12)-2-yl]phenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bi-1H-benzimidazole
• CAS: 326833-23-2
• 化学式: C₂₇H₃₄B₁₀N₆
• 分子量: 550.717
• InChiKey: CUTFMKCMALRGFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  2-methoxyethyl 2-(4-[1,2-dicarba-closo-dodecaboran(12)-2-yl]phenyl)-1H-benzimidazole-5-carboximidate hydrochloride 、 4-(4-甲基哌嗪基)-1,2-苯二胺 以 溶剂黄146 为溶剂， 以47.4%的产率得到2'-(4-[1,2-dicarba-closo-dodecaboran(12)-2-yl]phenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bi-1H-benzimidazole
  参考文献：
  名称：

  Labelling of Carbaboranyl Compounds with a Selenium Atom with a View to Applications in Boron-Neutron-Capture Therapy (BNCT) and Positron-Emission Tomography (PET)

  摘要：

  We synthesized 2'-carbaboranyl-2,5'-bi-1H-benzimidazoles containing 10 B-atoms and labeled with Se or the positron-emitting radionuclide Se-73 (t(1/2) = 7.1 h), with a view to their application to cancel. treatment by boron-neutron-capture therapy (BNCT) and to compound-distribution measurements in vivo by positron-emission tomography (PET). Thus, 2,2'-{[2'-(4-[1,2-dicarba-closo-dodecaboran(12)-2-ylmethoxy]phenyl]-[2,5'-bi-1H-benzimidazol]-5-yl}imino)bis[ethanol] (26c) was obtained by the reaction of 2,2'-[(3,4-diaminephenyl)imino]bis[ethanol] (19) with ethyl 2-{4-[1,2-dicarba-closo-dodecaboran(12)-2-ylmethoxy]phenyl}-1H-benzimidazole-5-carboximidate hydrochloride (25), as well as the analogues 26a and 26b (Scheme 6). Tosylation of compound 26c gave 4 regioisomers 27a-d, which, after selenation, produced 2'-{4-[1,2-dicarba-closo-dodecaboran(12)-2-ylmethoxy]phenyl}-5-(tetrahydro-2H-1,4-selenazin-4-yl)-2,5'-bi-1H-benzimidazole (29) in 42% yield (Scheme 7).

  DOI：

  10.1002/1522-2675(20001108)83:11<2926::aid-hlca2926>3.0.co;2-6