Zr(meso-tetraphenylporphyrinate)((n)Bu)2 | 143976-93-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Zr(meso-tetraphenylporphyrinate)((n)Bu)2
• CAS: 143976-93-6
• 化学式: C₅₂H₄₆N₄Zr
• 分子量: 818.188
• InChiKey: WAAPBMLIZNFGGM-NBICUONBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Zr(meso-tetraphenylporphyrinate)((n)Bu)2 、 水 在 BuLi 作用下， 以 苯 为溶剂， 生成 [Zr(meso-tetraphenylporphyrinate)(OH)2]2 * C6H6
  参考文献：
  名称：

  Reaction of (POR)M(OAc)2 (M  Zr, Hf) with nBuLi and soild state structure of [(TPP)Zr(μ-OH)2]2

  摘要：

  A general route to (TPP)Zr(OAc)(2), (OEP)Zr(OAc)(2) and (TPP)Hf(OAc)(2) from the reaction of MCl(4) and H-2(POR) in benzonitrile, followed by treatment with pyridine + acetic acid is described. The reaction of(POR)M(OAc)(2) with (n)BuLi occurs in a stepwise manner, with approximately 2 equiv. of (n)BuLi required before the formation of M((n)Bu) is observed, and 4 equiv. required for stoichiometric conversion to (POR)M((n)Bu)(2). The tetrahydroxo-bridged dimer [(TPP)Zr(mu-OH)(2)](2) was obtained as the benzene solvate from the hydrolysis of (TPP)Zr((n)Bu)(2), and the structure was determined by single crystal X-ray diffraction (triclinic, ; a=10.606(2) Angstrom,b=13.003(3) Angstrom, c=14.587(3) Angstrom, alpha=99.85(3)degrees, beta=107.61(3)degrees, gamma=96.82(3)degrees, Z=2).

  DOI：

  10.1016/0022-328x(95)05835-d
• 作为产物：
  描述：

  正丁基锂 、 dichloro(5,10,15,20-tetraphenylporphyrinato) zirconium(IV) 以 氘代甲苯 为溶剂， 生成 Zr(meso-tetraphenylporphyrinate)((n)Bu)2
  参考文献：
  名称：

  Reaction of (POR)M(OAc)2 (M  Zr, Hf) with nBuLi and soild state structure of [(TPP)Zr(μ-OH)2]2

  摘要：

  A general route to (TPP)Zr(OAc)(2), (OEP)Zr(OAc)(2) and (TPP)Hf(OAc)(2) from the reaction of MCl(4) and H-2(POR) in benzonitrile, followed by treatment with pyridine + acetic acid is described. The reaction of(POR)M(OAc)(2) with (n)BuLi occurs in a stepwise manner, with approximately 2 equiv. of (n)BuLi required before the formation of M((n)Bu) is observed, and 4 equiv. required for stoichiometric conversion to (POR)M((n)Bu)(2). The tetrahydroxo-bridged dimer [(TPP)Zr(mu-OH)(2)](2) was obtained as the benzene solvate from the hydrolysis of (TPP)Zr((n)Bu)(2), and the structure was determined by single crystal X-ray diffraction (triclinic, ; a=10.606(2) Angstrom,b=13.003(3) Angstrom, c=14.587(3) Angstrom, alpha=99.85(3)degrees, beta=107.61(3)degrees, gamma=96.82(3)degrees, Z=2).

  DOI：

  10.1016/0022-328x(95)05835-d