| 124360-30-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• CAS: 124360-30-1；124439-58-3
• 化学式: C₅₆H₅₄N₁₂O₄
• 分子量: 959.123
• InChiKey: CKQFVTMVMVGJBD-UBNLTOQMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.47
• 重原子数：
  72.0
• 可旋转键数：
  12.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  277.84
• 氢给体数：
  10.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  、 对苯二甲酰氯 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  陀螺样卟啉的合成

  摘要：

  已经制备了“陀螺仪样”的卟啉，并发现其具有高的构象刚度。

  DOI：

  10.1039/c39850001820
• 作为产物：
  描述：

  tetrakis-5,10,15,20-(α,β,α,β-N-BOC-L-Ala-ortho-amidophenyl)porphyrin 在 三氟乙酸 作用下， 生成
  参考文献：
  名称：

  Induced circular dichroism of atropisomeric porphyrins by combined amino acid residues

  摘要：

  L-Amino acids 与异构体卟啉、中-四（邻氨基苯基）卟啉和中-四（邻羧基苯基）卟啉结合后，会在卟啉的索雷特波段上产生圆二色性，其程度取决于构象。

  DOI：

  10.1039/c39920000692

文献信息

• Calix[4]arene-Capped Tetraphenylporphyrin. Synthetic Approach to a Chiral Capped Porphyrin with Regular C₄Symmetry
  作者：Takeshi Nagasaki、Hiroyuki Fujishima、Seiji Shinkai

  DOI：10.1246/cl.1994.989

  日期：1994.6

  A tetraphenylporphyrin capped with a calix[4]arene through four chiral pillars has been synthesized. This molecule retains C4 symmetry characteristic of porphyrins. The preliminary experiments indicated that the cavity shows unique guest-binding properties.

  合成了通过四个手性柱用杯[4]芳烃封端的四苯基卟啉。该分子保留了卟啉的 C4 对称性特征。初步实验表明，空腔显示出独特的客体结合特性。
• Synthesis and NMR characterization of a bis-strapped six-coordinate Fe(II) cytochrome-C model
  作者：Bernard Boitrel、Alexandra Lecas-Nawrocka、Eric Rose

  DOI：10.1016/0040-4039(92)88057-c

  日期：1992.1

  The new hexadentate bis-strapped porphyrin 6 has been synthesized with two different ansa, bringing in an intramolecular way, a nitrogen base and a thioether sixth ligand both necessary to mimic the natural cytochrome-C protein. H-1 NMR spectroscopy indicates clearly the six coordination of the iron atom.
• Design and synthesis of a C₄-symmetrical hard–soft ditopic metal receptor by calixarene–porphyrin coupling
  作者：Takeshi Nagasaki、Hiroyuki Fujishima、Masayuki Takeuchi、Seiji Shinkai

  DOI：10.1039/p19950001883

  日期：——

  A tetraphenylporphyrin capped with a calix[4]aryl amide through L-alanine pillars (compound 1) has been synthesized. Owing to C-4 symmetry in both the tetraphenylporphyrin and the calix[4]arene this molecule still retains C-4 symmetry. As the calix[4]aryl amide moiety can bind alkali metal cations, and the porphyrin moiety can bind transition metal cations, compound 1 acts as a host molecule with a hard-soft ditopic metal-binding site. It was found that the Zn-II complex of 1 (complex 1 . Zn-II) can bind KI very strongly with log K-ass = 5.23 (CHCl3:MeCN = 4:1 v/v; 25 degrees C) whereas KClO4 is scarcely captured by 1 . Zn-II. Absorption and fluorescence spectroscopic studies showed that I- ion is bound to this cavity, interacting with both calix[4]arene-bound K+ through electrostatic attraction and porphyrin-bound Zn-II through coordination as an axial ligand. The results establish that complex 1 . Zn-II acts as a unique ditopic receptor for I- ion.