(tetrakis(4-trifluoromethylphenyl)porphyrinato)zinc(II) | 109144-10-7

• 分子结构分类: 有机化合物
• 英文名称: (tetrakis(4-trifluoromethylphenyl)porphyrinato)zinc(II)
• CAS: 109144-10-7
• 化学式: C₄₈H₂₄F₁₂N₄Zn
• 分子量: 950.116
• InChiKey: QWNUICKISKXFRT-DAJBKUBHSA-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：

  丁基环氧乙烷 、 (tetrakis(4-trifluoromethylphenyl)porphyrinato)zinc(II) 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  电子修饰锌卟啉催化剂以将环氧和二氧化碳转化为环状碳酸酯

  摘要：

  在内消旋苯基的间位带有三丁基溴化铵基团的双功能Zn II卟啉催化剂对由环氧化物和CO 2合成环状碳酸酯表现出很高的催化活性。在本文中，在对位引入了几个具有不同电子性质的取代基。职位。给电子基团的引入降低了催化活性，而吸电子基团的引入提高了活性。取代基调节了锌中心的路易斯酸度，这通过结合常数实验得以证实。带有氰基的双功能催化剂显示出最高的催化活性，周转频率高达42 000 h -1。

  DOI：

  10.1002/cctc.201601690
• 作为产物：
  描述：

  5,10,15,20-tetrakis(4-trifluoromethylphenyl)porphyrin 、 zinc diacetate 以 甲醇 、 二氯甲烷 为溶剂， 以92%的产率得到(tetrakis(4-trifluoromethylphenyl)porphyrinato)zinc(II)
  参考文献：
  名称：

  Synthesis, spectral, structural and antimicrobial studies of fluorinated porphyrins

  摘要：

  We have reported the synthesis, spectral and anti-microbial studies of 5,10,15,20-tetrakis(4'-trifluoromethylphenyl)porphyrin derivatives, MT(4'-CF3P)Ps where M = 2H, 1; Fe(II), 2; Ni(II), 3; Cu(II), 4; Zn(II), 5 and Pt(II), 6. The optical absorption and steady state fluorescence spectra of 1-6 show characteristic bands comparable with MTPPs. Compounds 1 and 3-5 were structurally characterized using single crystal X-ray diffraction analysis; 1 and 4 crystallized in the triclinic system, whereas 3 and 5 in the monoclinic system. The high spin nickel(II) ion in 3 is well placed at the center of the planar porphyrin core, which is influenced by the presence of trifluoromethylphenyl groups at the periphery and two THF molecules in apex positions. The porphyrins I and 3-5 are arranged in a slip-stacked fashion involving C-H center dot center dot center dot pi and C-F center dot center dot center dot H-(sol) intermolecular close contacts for 1, 4 and 3, 5, respectively. The role of non-covalent interactions involving the trifluoromethylphenyl groups in the crystal packing have been analyzed and quantified using Hirshfeld surface analysis. The antimicrobial activity of the free ligand is higher compared to its metal complexes. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2015.05.018

文献信息

• Electronic and solvent effects in the reaction of zinc porphyrins with a metal imidazolate complex or 1-methylimidazole
  作者：John B. Cooper、Cynthia T. Brewer、Greg Brewer

  DOI：10.1016/s0020-1693(00)85897-1

  日期：1987.5

  attributed to entropy effects and that of the non-reacting metal free complex to conformational effects. Equilibrium constants for the reaction of N-CH3Im with Zn(TPP) conducted in dichloromethane, toluene, dimethoxyethane, and dimethylsulfoxide reveal a linear dependence of log Keq on the position of the α or β in a given solvent. The relative ordering of Keq in various solvents is given by the position

  Zn（p -XTPP）衍生物（X = CF 3，Cl，F，H，CH 3，OCH 3，N（Et）2）与咪唑化铜络合物的反应生成卟啉的咪唑基桥联双核轴向加合物其次是700-450 nm之间的可见光区域。卟啉移的α和β的频带，以降低能量和ε β /ε α在加合物的形成率降低。使用母体卟啉锌的最大β带在25.3°C的甲苯中测量反应的平衡常数。log K eq的图Hammett常数的线性关系具有0.208的斜率，这表明双核加合物的形成是由电子在卟啉上绘制取代基所辅助的。用镍代替咪唑化物络合物中的铜原子显着降低了与锌（TPP）反应的K eq值，而游离配体根本无法反应。与咪唑镍配合物的反应性降低归因于熵效应，而无反应的无金属配合物的归因于构象效应。在二氯甲烷，甲苯，二甲氧基乙烷和二甲基亚砜中进行的N -CH 3 Im与Zn（TPP）反应的平衡常数显示出log K eq的线性依赖性在给定溶剂中α或β的位置
• A Systematic Investigation of the Effects of Axial Ligands and Peripheral Substituents on the Electronic Structures of Zinc(II) Tetraphenylporphyrin π-Cation Radicals: Electrochemical EPR and Spectroscopic Observation
  作者：Kohji Ichimori、Hiroaki Ohya-Nishiguchi、Noboru Hirota

  DOI：10.1246/bcsj.61.2753

  日期：1988.8

  A detailed study of the effect of axial ligand and peripheral substituent on the π-system of zinc(II) tetraphenylporphyrin π-cation radical has been made using an electrochemical EPR technique. It is confirmed from the EPR spectra that most of the anions and bases examined coordinate the radicals axially. The spin density on the nitrogen nuclei in the radicals increases with the polarizability of the

  使用电化学 EPR 技术详细研究了轴向配体和外围取代基对锌 (II) 四苯基卟啉 π-阳离子自由基的 π 系统的影响。从 EPR 光谱证实，大多数检查的阴离子和碱在轴向上协调自由基。自由基中氮核上的自旋密度随着轴向配体的极化率而增加，根据母体中性配合物的光谱估计。对于此处检查的苯基上具有不同取代基的 14 种配合物，哈米特取代基常数与自旋密度之间存在线性相关性。还表明苯基的对位具有与邻位相当的自旋密度，这表明卟啉环和苯基之间存在相当大的共轭。在大多数情况下，存在两种自由基物种，它们在低温下产生宽而锐利的 EPR 光谱。这是建议...
• Optical and photoelectronic properties of a new material: Optoelectronic application
  作者：J. Brahmi、S. Nasri、H. Saidi、K. Aouadi、M. R. Sanderson、M. Winter、D. Cruickshank、S. Najmudin、H. Nasri

  DOI：10.5802/crchim.20

  日期：——
• A General and Efficient Palladium-Catalyzed Intramolecular Cyclization Reaction of β-Brominated Porphyrins
  作者：Dong-Mei Shen、Chao Liu、Qing-Yun Chen

  DOI：10.1021/jo0609677

  日期：2006.8.1

  A general and efficient synthesis of fused five-membered porphyrins from the readily available beta-brominated porphyrins via palladium-catalyzed intramolecular cyclization has been developed, which can be applied for various metal complexes of beta-brominated porphyrins or free base ones and generally results in good yields of the fused five-membered porphyrins.