2,2',7,7'-tetra(2H-tetrazol-5-yl)-9,9'-spirobi[fluorene] | 1092493-12-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2,2',7,7'-tetra(2H-tetrazol-5-yl)-9,9'-spirobi[fluorene]
• 英文别名: H4ttbf
• CAS: 1092493-12-3
• 化学式: C₂₉H₁₆N₁₆
• 分子量: 588.553
• InChiKey: BIPZTWHQHCERKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  45.0
• 可旋转键数：
  4.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  217.84
• 氢给体数：
  4.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 cadmium(II) nitrate tetrhydrate 、 2,2',7,7'-tetra(2H-tetrazol-5-yl)-9,9'-spirobi[fluorene] 以 甲醇 为溶剂， 以34%的产率得到Cd2(2,2',7,7'-tetrakis(2H-tetrazol-5-yl)-9,9'-spirobi[fluorene](4-))(CH3OH)5*3H2O
  参考文献：
  名称：

  Reaction-condition-controlled formation of secondary-building-units in three cadmium metal–organic frameworks with an orthogonal tetrakis(tetrazolate) ligand

  摘要：

  Three metal-organic frameworks (MOFs) have been isolated using an orthogonal tetrakis(tetrazolate) ligand, ttbf (the tetra-anion of 2,2',7.7'-tetrakis(2H-tetrazol-5-yl)-9,9'-spirobi[fluorene], H(4)ttbf). These three MOFs were constructed using only (ttbf)(4-) and Cd2+ by changing metal:ligand ratio, solvent, and source of anions. MOF 3 contains a very rare square-planar Cd-4 cluster bridged by a mu(4)-Cl atom. MOFs 1 and 3 have saturated metal centers prior to drying and do not thermally decompose until 315 degrees C. MOF 2, however, has an unsaturated metal center prior to drying and its thermal-decomposition temperature is around 250 degrees C. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.04.038