nickel(II) 2,3-(β-methylenepropano)-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)porphyrin | 412348-30-2

• 分子结构分类: 有机化合物
• 英文名称: nickel(II) 2,3-(β-methylenepropano)-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)porphyrin
• CAS: 412348-30-2
• 化学式: C₈₀H₉₆N₄Ni
• 分子量: 1172.36
• InChiKey: RHVSJBPPMNKUOY-BUJQUCTNSA-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：

  nickel(II) 2,3-(β-methylenepropano)-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)porphyrin 以 not given 为溶剂， 生成 nickel(II) 2,3-(β-methylpropeno)-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)porphyrin
  参考文献：
  名称：

  β,β′-Fused metallocenoporphyrinsElectronic supplementary information (ESI) available: molecular structure of 10. See http://www.rsc.org/suppdata/cc/b1/b107732e/

  摘要：

  文中介绍了δ²,δâ²-融合的钌二卟啉（9）和二茂铁卟啉二聚体（11）的合成过程。

  DOI：

  10.1039/b107732e
• 作为产物：
  描述：

  反应 48.0h， 生成 nickel(II) 2,3-(β-methylenepropano)-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)porphyrin
  参考文献：
  名称：

  β,β′-Fused metallocenoporphyrinsElectronic supplementary information (ESI) available: molecular structure of 10. See http://www.rsc.org/suppdata/cc/b1/b107732e/

  摘要：

  文中介绍了δ²,δâ²-融合的钌二卟啉（9）和二茂铁卟啉二聚体（11）的合成过程。

  DOI：

  10.1039/b107732e

文献信息

• Synthesis, Characterization, and Electrochemical Studies of β,β‘-Fused Metallocenoporphyrins
  作者：Hong J. H. Wang、Laurent Jaquinod、Marilyn M. Olmstead、M. Graça H. Vicente、Karl M. Kadish、Zhongping Ou、Kevin M. Smith

  DOI：10.1021/ic062303l

  日期：2007.4.1

  beta,beta'-Fused monoruthenocenylporphyrins, Cp*Ru(III)[1,2-[M(II)-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)-porphyrinato]-3-methyl-cyclopentadienide] (M = Ni (20), Cu (21), Zn (22)), and bisferrocenoporphyrins, Fe(II) bis[1,2-[M(II)-5,10,15,20-tetraphenylporphyrinato]-3-methyl-cyclopentadienide] (M = Ni (24), Cu (25), Zn (26)), were synthesized and characterized. A novel synthetic approach to beta,beta'-fused porphyrins through Pd(0)-catalyzed [3 + 2] cycloaddition was implemented in this work. UV-vis spectra of these compounds show largely broadened and red-shifted bands (relative to their precursors) indicating potential electronic communication between the attached organometallic moiety and the porphyrin core. The electrochemistry of these molecules suggests significant electronic interactions between the metallocene and metalloporphyrin in molecules 20 and 24. The crystal structure of the bisferrocenoporphyrin 26, Fe(II) bis[1,2-[Zn(II)-5,10,15,20-tetraphenylporphyrinato]-3-methyl-cyclopentadienide], was determined: Cp2Fe[ZnTPP(THF)](2)}Cp2Fe[ZnTPP(THF)ZnTPP(MeOH)]}center dot 3MeOH center dot 6THF, M = 3804.35, monoclinic, space group P2(1)/c, a = 33.327(5) angstrom, b = 19.145(3) angstrom, c = 29.603(5) angstrom, beta = 106.309(2)degrees, V = 18128(5) angstrom(3), Z = 4. In this molecule, one porphyrin ring is rotated by about 72(o) with respect to the other in the 5-fold axis of the Cp ring.