1,3-bis((2-(methylthio)benzimidazol-1-yl)methyl)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: 1,3-bis((2-(methylthio)benzimidazol-1-yl)methyl)benzene
• 英文别名: 1,3-bis(2-(methylmercapto)benzimidazol-1-ylmethyl)benzene；1,3-Bis((2-(methylthio)-benzimidazol-1-yl)methyl)benzene；2-methylsulfanyl-1-[[3-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
• 化学式: C₂₄H₂₂N₄S₂
• 分子量: 430.597
• InChiKey: SPQGJJNWIIXYEQ-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：

  1,3-bis((2-(methylthio)benzimidazol-1-yl)methyl)benzene 、 silver trifluoromethanesulfonate 以 甲醇 、 二氯甲烷 为溶剂， 以83%的产率得到
  参考文献：
  名称：

  Silver(I) based dinuclear metallacycles with free thiophenyl/thiomethyl units

  摘要：

  在常温条件下，使用AgOS(O2)CF3和苯并咪唑衍生出的双齿N供体配体，合成了三种带有自由噻吩基或硫甲基的双核、离子型且同核金属环。这些配合物通过分析和光谱（红外和1H核磁共振）技术进行了表征，其中两种配合物通过单晶X射线衍射进行了结构表征。

  DOI：

  10.1007/s12039-015-1027-3
• 作为产物：
  描述：

  在 copper(l) iodide 、 1,10-菲罗啉 、 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 生成 1,3-bis((2-(methylthio)benzimidazol-1-yl)methyl)benzene
  参考文献：
  名称：

  Copper(I)-Catalyzed Synthesis of Substituted 2-Mercapto Benzimidazoles

  摘要：

  An efficient method for the preparation of various substituted 2-mercapto benzimidazoles from their corresponding thioureas has been developed. S-Alkylation of thioureas followed by Cu-catalyzed intramolecular N-arylation furnished substituted 2-mercapto benzimidazoles in high yields and short reaction times. Furthermore, 2-mercapto benzimidazoles substituted with a p-methoxybenzyl group allowed access to benzimidazole thiones.

  DOI：

  10.1021/jo802589d

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.
• Silver(I) based dinuclear metallacycles with free thiophenyl/thiomethyl units
  作者：SARITA YADAV、DEEPAK GUPTA、MALAICHAMY SATHIYENDIRAN

  DOI：10.1007/s12039-015-1027-3

  日期：2016.2

  Three dinuclear, ionic and homoleptic metallacycles decorated with free thiophenyl or thiomethyl units were synthesized using AgOS(O 2)CF 3 and benzimidazole derived ditopic N-donor ligands at ambient condition. The complexes were characterized by analytical and spectroscopic (IR and 1H NMR) techniques and two of the complexes were structurally characterised through single crystal X-ray diffraction.

  在常温条件下，使用AgOS(O2)CF3和苯并咪唑衍生出的双齿N供体配体，合成了三种带有自由噻吩基或硫甲基的双核、离子型且同核金属环。这些配合物通过分析和光谱（红外和1H核磁共振）技术进行了表征，其中两种配合物通过单晶X射线衍射进行了结构表征。
• Copper(I)-Catalyzed Synthesis of Substituted 2-Mercapto Benzimidazoles
  作者：Siva Murru、Bhisma K. Patel、Jean Le Bras、Jacques Muzart

  DOI：10.1021/jo802589d

  日期：2009.3.6

  An efficient method for the preparation of various substituted 2-mercapto benzimidazoles from their corresponding thioureas has been developed. S-Alkylation of thioureas followed by Cu-catalyzed intramolecular N-arylation furnished substituted 2-mercapto benzimidazoles in high yields and short reaction times. Furthermore, 2-mercapto benzimidazoles substituted with a p-methoxybenzyl group allowed access to benzimidazole thiones.