bis(indazol-1-yl)pyridin-2'-ylmethane | 149834-06-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: bis(indazol-1-yl)pyridin-2'-ylmethane
• 英文别名: di-(1-indazolyl)-(2-pyridyl)methane；Bis(indazol-1-yl)pyridin-2-ylmethane；1-[indazol-1-yl(pyridin-2-yl)methyl]indazole
• CAS: 149834-06-0
• 化学式: C₂₀H₁₅N₅
• 分子量: 325.373
• InChiKey: OTXHIBMAYMUIGK-UHFFFAOYSA-N

物化性质

• 沸点：
  553.6±50.0 °C(predicted)
• 密度：
  1.31±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  48.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(norbornadiene)rhodium(I)chloride]2 、 bis(indazol-1-yl)pyridin-2'-ylmethane 以 丙酮 为溶剂， 以75%的产率得到{((2,3,5,6-η)-bicyclo{2.2.1}hepta-2,5-diene)(bis(1H-indazol-1-yl)(pyridin-2-yl)methyl)rhodium(I)}{((2,3,5,6-η)-bicylo{2.2.1}hepta-2,5-diene)(dichloro)rhodium(I)}
  参考文献：
  名称：

  （2,5-降冰片二烯）铑（I）与双和三（azol-1-yl）甲烷的配合物

  摘要：

  Reactions of bis[(2,3,5,6-eta)-bicyclo[2.2.1]hepta-2,5-diene]bis(mu-chloro)dirhodium, [RhCl-(NBD)]2, with bis- and tris(azolyl)methanes have been performed in methanol and acetone with 1:1 and 1:2 [RhCl(NBD)]2/ligand molar ratios. The structures of the complexes have been characterized by infrared and H-1 and C-13 NMR spectroscopy as well as X-ray diffraction analysis. Cationic species have been evidenced in the solid state while equilibria between cationic and neutral species have been established in solution.

  DOI：

  10.1021/om00013a042
• 作为产物：
  描述：

  吡啶-2-甲醛 、 吲唑 在 zinc(II) chloride 作用下， 反应 17.0h， 以24%的产率得到bis(indazol-1-yl)pyridin-2'-ylmethane
  参考文献：
  名称：

  The crystal and molecular structure of bis(indazol-1-yl)pyridin-2′-ylmethane (BIPM) and [Rh(BIPM)(NBD)]PF6

  摘要：

  The syntheses of a new tripodal ligand bis(indazol-1-yl)pyridin-2'-ylmethane (BIPM) and of a cationic complex [Rh(BIPM)(NBD)]PF6, (NBD = 2,5-norbornadiene) are reported. Both compounds were characterized by infrared, H-1, and C-13 NMR spectroscopy and by single crystal X-ray analysis. BIPM crystallizes in the monoclinic system in space group P2(1)/n with an alphabetaalpha helical conformation. The [Rh(BIPM)(NBD)]PF6 complex crystallizes in the monoclinic space group C/2c, the rhodium atom being pentacoordinate with a distorted trigonal bipyramidal geometry.

  DOI：

  10.1016/0022-328x(93)80162-5