hexa(m-trifluoromethylphenyl)benzotetraazaporphine | 475146-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: hexa(m-trifluoromethylphenyl)benzotetraazaporphine
• 英文别名: hexa(m-trif luoromethylphenyl)benzoporphyrazine；4,5,9,10,14,15-hexakis[3-(trifluoromethyl)phenyl]-2,7,12,17,25,26,27,28-octazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11(27),12,14,16,18(25),19,21,23-tridecaene
• CAS: 475146-90-8
• 化学式: C₆₂H₃₀F₁₈N₈
• 分子量: 1228.95
• InChiKey: MUFKPQPLRONSKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.2
• 重原子数：
  88
• 可旋转键数：
  6
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  hexa(m-trifluoromethylphenyl)benzotetraazaporphine 、 zinc diacetate 在 正丁胺 作用下， 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Kinetic Features of the Formation of Zinc Complex with Hexa(m-Trifluoromethylphenyl)benzoporphyrazine in a Nitrogen-Containing Base–Benzene System

  摘要：

  The effect n-butylamine, tert-butylamine, piperidine, and morpholine additives have on the kinetics of complex formation between zinc acetate and hexa(m-trifluoromethylphenyl)benzoporphyrazine in benzene is studied. A possible scheme for their complexation is proposed. It is established that the rate and activation parameters of the process are affected by the proton-acceptor capacity of the base and its spatial structure.

  DOI：

  10.1134/s0036024418090200
• 作为产物：
  描述：

  2,3,7,8,12,13-hexa(m-trifluoromethylphenyl)benzo[q]porphyrazinatomagnesium 在 溶剂黄146 作用下， 反应 2.0h， 以81%的产率得到hexa(m-trifluoromethylphenyl)benzotetraazaporphine
  参考文献：
  名称：

  Synthesis and Spectroscopic Properties of Non-Symmetrical Benzo-Annulated Porphyrazines and Their Metal Complexes

  摘要：

  DOI：

  10.1002/1099-0690(200208)2002:16<2859::aid-ejoc2859>3.0.co;2-e

文献信息

• Kinetic Regularities of Slow Proton Transfer from β-Substituted Porphyrazines to Organic Bases
  作者：O. A. Petrov

  DOI：10.1134/s003602442104021x

  日期：2021.4

  The regularities of intermolecular proton transfer from β-substituted porphyrazines to dimethylsulfoxide, cyclic and acyclic nitrogen-containing bases in inert solvents are considered. We found that the process rates are unusually low. We showed that the acidic properties of a porphyrazine macrocycle, the proton-acceptor ability of a base, and the dielectric constant of the environment influence the

  研究了惰性溶剂中β-取代四氮杂卟啉到二甲亚砜、环状和非环状含氮碱基的分子间质子转移规律。我们发现处理率异常低。我们表明，四氮杂卟啉大环化合物的酸性、碱的质子受体能力和环境的介电常数会影响酸碱相互作用的动力学参数。讨论了四氮杂卟啉质子转移配合物的结构和稳定性。
• Kinetic Features of the Formation of Zinc Complex with Hexa(m-Trifluoromethylphenyl)benzoporphyrazine in a Nitrogen-Containing Base–Benzene System
  作者：O. A. Petrov

  DOI：10.1134/s0036024418090200

  日期：2018.9

  The effect n-butylamine, tert-butylamine, piperidine, and morpholine additives have on the kinetics of complex formation between zinc acetate and hexa(m-trifluoromethylphenyl)benzoporphyrazine in benzene is studied. A possible scheme for their complexation is proposed. It is established that the rate and activation parameters of the process are affected by the proton-acceptor capacity of the base and its spatial structure.
• Synthesis and Spectroscopic Properties of Non-Symmetrical Benzo-Annulated Porphyrazines and Their Metal Complexes
  作者：Sergej I. Vagin、Michael Hanack

  DOI：10.1002/1099-0690(200208)2002:16<2859::aid-ejoc2859>3.0.co;2-e

  日期：2002.8