1,4-bis(2-methylmercaptobenzimidazol-1-ylmethyl)benzene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1,4-bis(2-methylmercaptobenzimidazol-1-ylmethyl)benzene
• 英文别名: 2-Methylsulfanyl-1-[[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole；2-methylsulfanyl-1-[[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
• 化学式: C₂₄H₂₂N₄S₂
• 分子量: 430.597
• InChiKey: PYCBSNBTZHLXBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  86.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  四羟基苯醌 、 十羰基二铼 、 1,4-bis(2-methylmercaptobenzimidazol-1-ylmethyl)benzene 以 均三甲苯 为溶剂， 反应 48.0h， 以85%的产率得到
  参考文献：
  名称：

  Hard and soft-donors decorated rhenium based metallocavitands

  摘要：

  Flexible ligands containing two terminal mercaptobenzimidazolyl units were designed, synthesized, and utilized for metallocavitands in the presence of tetrahydroxybenzoquinone and Re-2(CO)(10). These metallocavitands adopt unsymmetrical calix[4]arene-shaped frameworks, which contain two hydroxyl groups and two thioether units. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.05.051
• 作为产物：
  描述：

  1,4-二(溴甲基)苯 、 2-(甲基硫代)苯并咪唑 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 以66%的产率得到1,4-bis(2-methylmercaptobenzimidazol-1-ylmethyl)benzene
  参考文献：
  名称：

  Hard and soft-donors decorated rhenium based metallocavitands

  摘要：

  Flexible ligands containing two terminal mercaptobenzimidazolyl units were designed, synthesized, and utilized for metallocavitands in the presence of tetrahydroxybenzoquinone and Re-2(CO)(10). These metallocavitands adopt unsymmetrical calix[4]arene-shaped frameworks, which contain two hydroxyl groups and two thioether units. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.05.051

文献信息

• Hard and soft-donors decorated rhenium based metallocavitands
  作者：Palanisamy Rajakannu、Palani Elumalai、Shaikh M. Mobin、Kuang-Lieh Lu、Malaichamy Sathiyendiran

  DOI：10.1016/j.jorganchem.2013.05.051

  日期：2013.10

  Flexible ligands containing two terminal mercaptobenzimidazolyl units were designed, synthesized, and utilized for metallocavitands in the presence of tetrahydroxybenzoquinone and Re-2(CO)(10). These metallocavitands adopt unsymmetrical calix[4]arene-shaped frameworks, which contain two hydroxyl groups and two thioether units. (C) 2013 Elsevier B.V. All rights reserved.