cobalt(II) tetra(N-methyl-4-pyridyl)porphyrin | 79346-65-9

• 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
• 英文名称: cobalt(II) tetra(N-methyl-4-pyridyl)porphyrin
• 英文别名: (5,10,15,20-tetrakis(N-methyl-4-pyridinio)porphyrinato)cobalt(II)；cobalt(II) 5,10,15,20-tetrakis(N-methyl-4-pyridyl) porphyrin；cobalt(II) tetrakis(N-methyl-4-pyridyl)porphyrin；meso-tetrakis(N-methyl-4-pyridiniumyl)porphirin；Co(meso-tetrakis(N-methyl-4-pyridiniumyl)porphyrinate)(4+)；[Co(tetrakis(1-methylpyridinium-4-yl)porphyrinato)](4+)；[Co(meso-tetrakis(N-methyl-4-pyridiniumyl)porphyrin]；Co(meso-tetrakis(4-N-methylpyridinium)porphophine)；Co-tetrakis(N-methyl-4-pyridyl)porphyrin；tetrakis(N-methylpyridinium)-cobalt-porphyrin；cobalt tetramethylpyridinium porphyrin；Co(II)TMPyP；cobalt(2+);5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide
• CAS: 79346-65-9
• 化学式: C₄₄H₃₆CoN₈
• 分子量: 735.817
• InChiKey: OIPFTFWKVIYBSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.88
• 重原子数：
  53
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cobalt(II) tetra(N-methyl-4-pyridyl)porphyrin 在 氨 作用下， 以 水 为溶剂， 生成 ammine{5,10,15,20-tetrakis(N-methyl-4'-pyridinio)porphyrinato}cobalt(II)
  参考文献：
  名称：

  Evans, Dennis F.; Wood, David, Journal of the Chemical Society, Dalton Transactions, 1987, p. 3099 - 3102

  摘要：

  DOI：
• 作为产物：
  描述：

  5,10,15,20-tetrskis(N-methylpyridinium-4-yl)porphyrinato cobalt(III) 在 SO₂^(1-) 作用下， 以 高氯酸 为溶剂， 生成 cobalt(II) tetra(N-methyl-4-pyridyl)porphyrin
  参考文献：
  名称：

  二氧化硫/二氧化硫自由基阴离子对在水溶液中的单电子转移反应。脉冲辐射分解和循环伏安法研究

  摘要：

  DOI：

  10.1021/j100290a063
• 作为试剂：
  描述：

  反式-1,2-二苯乙烯 在 叔丁基过氧化氢 、 cobalt(II) tetra(N-methyl-4-pyridyl)porphyrin 作用下， 以 水 、 乙腈 为溶剂， 反应 6.0h， 生成 2,3-diphenyloxirane 、 苯甲醛
  参考文献：
  名称：

  “瓶装船运” Porph @ MOMs是高效的催化剂，可选择性地控制氧化并深入了解异质和均质环境中的不同机制†

  摘要：

  在目前的工作中，据报导三种“瓶装” Morph @ MOM作为仿生氧化催化剂，可用于不同的反应。这些骨架由偏苯三酸和金属离子（M = Fe，Co和Mn）构成，其中四（N-甲基-4-吡啶基）卟啉（MTMPyP）封装在腔体内。另外，在上述氧化反应中研究了相应的均相化合物FeTMPyP，CoTMPyP和MnTMPyP的催化活性，以及​​在腔内没有卟啉的骨架。制备的3D多孔结构具有控制对所需产品的选择性的能力。此外，它们能够充当有效的过氧化物酶模拟物，使用TBHP作为氧化剂可成功催化各种烯烃以及烃类的氧化。与它们相应的均相系统相比，非均相催化剂显着提高了转化率。值得注意的是，基于选择性的逆转，从提出的机理中获得了对催化剂行为的深入了解。对催化剂的稳定性和可重复使用性的研究揭示了催化剂的异质性，在氧化反应过程中没有解吸。催化剂的高产率，清洁反应，高热稳定性和可重复使用性使其成为各种氧化反应中非均相催化剂的良好候选者。

  DOI：

  10.1039/c8nj00315g

文献信息

• Synthesis and DNA Binding of Novel Water-Soluble Cationic Methylcobalt Porphyrins
  作者：Jenna S. Trommel、Luigi G. Marzilli

  DOI：10.1021/ic010232e

  日期：2001.8.1

  Organocobalt derivatives of tetracationic water-soluble porphyrins are difficult to prepare via the typical reductive alkylation of the Co(II)(por) (porH(2) = porphyrin ligand). None have been reported. The problem may arise because the porphyrin core is made relatively electron poor by the positively charged peripheral groups. We have circumvented this problem by using the [Co(III)(NH(3))(5)CH(3)](2+) reagent, which inserts the Co(III)-CH(3) moiety directly into porH(2) in water under basic conditions. The method afforded two new [CH(3)Co(por)](4+) derivatives, [CH(3)CoTMpyP(4)](4+) and [CH(3)CoTMAP](4+), where [TMpyP(4)](4+) and [TMAP](4+) are the coordinated, NH-deprotonated forms of meso-tetrakis(N-methyl-4-pyridiniumyl)porphyrin and meso-tetrakis(N,N,N-trimethylaniliniumyl)porphyrin, respectively. The binding of the two new [CH(3)Co(por)](4+) cations to DNA and to the synthetic DNA polymers [poly(dA-dT)](2) and [poly(dG-dC)](2) was studied. Using published criteria by which changes in DNA viscosity and in the visible and CD spectra in the Soret region can be used to assess DNA binding, we conclude that both are outside binders. A large hypochromicity of the Soret bands of the [CH(3)Co(por)](4+) cations observed upon outside binding to DNA may indicate a high degree of self-stacking. The visible absorption and CD spectra of the [CH(3)Co(por)](4+) cations in the presence of 1:1 mixtures of [poly(dA-dT)](2) and [poly(dG-dC)](2) are nearly identical to those with [poly(dA-dT)](2) alone and are very different from those of [poly(dG-dC)](2) alone. Thus, both cations show a high preference for outside binding at AT-rich over GC-rich DNA sites. Upon binding of each of the [CH(3)Co(por)](4+) cations to all of the DNA polymers, the Soret bands exhibit blue shifts, whereas the Soret bands of the corresponding [(H(2)O)(2)Co(por)](5+) cations exhibit red shifts. The blue shifts strongly suggest that the [CH(3)Co(por)](4+) cations, particularly [CH(3)CoTMAP](4+), become five-coordinate forms to some extent on DNA binding; this result is the first good evidence for the presence at equilibrium of five-coordinate CH(3)Co(III)(N(4)) forms in water.
• Exchange reactions of transition metal ions and labile cadmium porphyrins
  作者：Abdullah Shamim、Peter Hambright

  DOI：10.1016/0022-1902(80)80331-9

  日期：1980.1
• Kinetics of the reactions of divalent copper, zinc, cobalt, and nickel with a deformed water soluble centrally monoprotic porphyrin
  作者：Sabrina L. Bailey、Peter Hambright

  DOI：10.1016/s0020-1693(02)01323-3

  日期：2003.2

  The kinetics of incorporation of Cu2+, Zn2+,Co2+, and Ni2+ into the free base H-2-BrP(4)(4+) and centrally monoprotic H-BrP(4)(3+) forms of the deformed and water soluble beta-octabromo-tetrakis(N-methyl-4-pyridyl)porphyrin were studied at 25degreesC, I=0.10 (NaNO3/HNO3). Below pH 7, the reactions were first-order in porphyrin and metal, and the rate constants increased with an increase in pH. The monocation H-3-BrP(4)(5+) did not incorporate metal ions, and H-BrP(4)(3+) reacted several hundred times faster than H-2-BrP(4)(4+). The incorporation rate constants for the pre-deformed H-2-BrP(4)(4+) were similar to10(3) times larger as compared to the more planar tetrakis(N-methyl-4-pyridyl)porphyrin. For both porphyrins, the reactivity order was Cu2+>Zn2+>Co2+> Ni2+. While Cu2+ reacted similar to10(4) times more rapidly than did Ni2+ the ratios of the metalation rate constants of H-BrP(4)(3+) to the water exchange rate constants of the metal ions varied by no more than a factor of 4 across the series. (C) 2002 Elsevier Science B.V. All rights reserved.
• Kellett, Richard M.; Spiro, Thomas G., Inorganic Chemistry, <hi>1985</hi>, vol. 24, # 15, p. 2373 - 2377
  作者：Kellett, Richard M.、Spiro, Thomas G.

  DOI：——

  日期：——
• One-electron-transfer reactions of the couple sulfur dioxide/sulfur dioxide radical anion in aqueous solutions. Pulse radiolytic and cyclic voltammetric studies
  作者：P. Neta、Robert E. Huie、Anthony. Harriman

  DOI：10.1021/j100290a063

  日期：1987.3