nickel(II) 2,3;7,8-bis(β-methylenepropano)-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)porphyrin | 934630-93-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: nickel(II) 2,3;7,8-bis(β-methylenepropano)-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)porphyrin
• CAS: 934630-93-0
• 化学式: C₈₄H₁₀₀N₄Ni
• 分子量: 1224.43
• InChiKey: VZRDVTDWVZEVMV-PZDMGQKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  水 、 nickel(II) 2,3-(β-methylenepropano)-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)porphyrin dihydrate 、 2-(三甲基硅甲基)烯丙基乙酸酯 、 dinitrogen tetraoxide 在 Pd(O₂CCH₃)2 、 triisopropyl phosphite 作用下， 以 四氢呋喃 为溶剂， 生成 nickel(II) 2,3;17,18-bis(β-methylenepropano)-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)porphyrin semihydrate 、 nickel(II) 2,3;7,8-bis(β-methylenepropano)-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)porphyrin
  参考文献：
  名称：

  Synthesis, Characterization, and Electrochemical Studies of β,β‘-Fused Metallocenoporphyrins

  摘要：

  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.

  DOI：

  10.1021/ic062303l