| 70185-72-7

• 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: 70185-72-7
• 化学式: C₆₄H₆₆N₄O₄
• 分子量: 955.252
• InChiKey: MMCAFHPDCFASIO-PNDPSMQKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.11
• 重原子数：
  72.0
• 可旋转键数：
  0.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  94.28
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 di(rhodium)tetracarbonyl dichloride 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  铑卟啉的还原电化学。中间氧化态的歧化

  摘要：

  在极性非质子溶剂中还原铑 (III) 卟啉是一种双电子不可逆反应，直接生成 Rh(I) 络合物。这种不可逆性的原因不是最初形成的 Rh(II) 络合物的金属 - 金属二聚化，而是产生比起始 Rh(III) 卟啉更容易还原的二级 Rh(II) 物种的去连接。空间位阻的卟啉，例如那些带有禁止两个分子在键合距离处接近的交叉反式篮柄超结构的卟啉，表现出与简单的铑卟啉相同的行为这一事实证实了这一点。这种 ECE-歧化过程的发生，在金属卟啉或类似配合物的氧化还原化学中很少观察到，可能与铑原子移出卟啉平面的趋势有关，特别是在 Rh(I) 氧化态时。值得注意的是，强配体和软配体，例如叔膦，消灭了歧...

  DOI：

  10.1021/ja964023i
• 作为产物：
  描述：

  水杨醛 、 alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾 、 三氟化硼乙醚 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Investigation of the one-flask synthesis of porphyrins bearing meso-linked straps of variable length, rigidity, and redox activity

  摘要：

  The reactions of 18 dialdehydes have been examined in the two-step one-flask room temperature porphyrin synthesis. Efficient alkylation methods were established for the reaction of diols and diacids with m-bromomethylbenzaldehyde Dialdehydes linked at the o,o'- or m,m'-positions were converted to strapped porphyrins in yields up to 25%, while the one p,p'-linked dialdehyde that was examined failed to give porphyrin. The resulting porphyrins bear straps joining adjacent meso-positions rather than across the face of the porphyrin. Dialdehydes incorporating rigid groups provided improved yields in some but not all cases. The yield of strapped porphyrin exhibited a maximum at 10(-2) M reactant concentrations. The o,o'-strapped porphyrins exist as atropisomers thai are sufficiently stable to interconversion at room temperature to be separable chromatographically. No atropisomers of m,m'-strapped porphyrins could be separated, though some could be observed by H-1 NMR spectroscopy. For two different m,m'-strapped porphyrins, the Delta G double dagger values for interconversion of the atropisomers were found to be 66 and 68 kJ/mol. The outer rings in these strapped porphyrins range in size from 14 to 24 atoms. Five porphyrins with bridging redox-active groups (ferrocene or anthraquinone) have been prepared in one-flask reactions, including a porphyrin bearing one ferrocene and one anthraquinone in straps across adjacent meta-substituted phenyl sites. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00327-x

文献信息

• Momenteau, Michel; Mispelter, Joel; Loock, Bernard, Journal of the Chemical Society. Perkin transactions I, 1985, p. 61 - 70
  作者：Momenteau, Michel、Mispelter, Joel、Loock, Bernard、Lhoste, Jean-Marc

  DOI：——

  日期：——