2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrin | 131814-51-2

• 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: 2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrin
• 英文别名: 3,7,13,17-tetramethyl-2,8,12,18-tetrabutylporphyrin；2,8,12,18-tetrabutyl-3,7,13,17-tetramethylporphine；2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphin；2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-porphyrin
• CAS: 131814-51-2
• 化学式: C₄₀H₅₄N₄
• 分子量: 590.896
• InChiKey: KBNWAXJWLDRWQP-QAOILRMHSA-N

物化性质

• 沸点：
  837.5±60.0 °C(Predicted)
• 密度：
  1.042±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.86
• 重原子数：
  44.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  57.36
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrin 、 copper diacetate 以 吡啶 为溶剂， 生成 3,7,13,17-tetramethyl-2,8,12,18-tetrabutylporphyrin copper(II) complex
  参考文献：
  名称：

  Mamardashvili, N. Zh.; Klopova, L. V.; Semeikin, A. S., Koordinatsionnaya Khimiya, 1992, vol. 18, p. 59 - 62

  摘要：

  DOI：
• 作为产物：
  描述：

  4-butyryl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester 在 甲醇 、 乙醚 、 乙基溴化镁 、 溴 、 sodium ethanolate 、 一水合肼 作用下， 生成 2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrin
  参考文献：
  名称：

  Fischer; Bertl, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1934, vol. 229, p. 37,49

  摘要：

  DOI：

文献信息

• [EN] DYE COMPOSITION FOR USE IN PHOTOELECTRIC MATERIAL<br/>[FR] COMPOSITION DE COLORANT POUR UN USAGE DANS UN MATÉRIAU PHOTOÉLECTRIQUE
  申请人：UNIV WOLLONGONG

  公开号：WO2010088723A1

  公开（公告）日：2010-08-12

  A dye composition for use in a photoelectric material, the dye composition comprising a plurality of dyes comprising a chromophore and at least one binding group for binding with a semiconductor (preferably a metal oxide semiconductor) wherein the plurality of dyes include a first dye wherein the binding group is linked to the dye chromophore by a linker not in conjugation with the chromophore and a second dye wherein the binding group is attached by a linker in conjugation with the chromophore.

  一种用于光电材料的染料组合物，该染料组合物包括多种染料，其中包括一个色团和至少一个用于与半导体（最好是金属氧化物半导体）结合的结合基团，其中多种染料包括第一种染料，其中结合基团通过与色团不共轭的连接剂连接到染料色团上，以及第二种染料，其中结合基团通过与色团共轭的连接剂连接。
• Electrochemical and Electrocatalytical Properties of 3,7,13,17-Tetramethyl-2,8,12,18-Tetrabutylporphyrin in Alkaline Solution
  作者：Egor Girichev、Michail Bazanov、Nugzar Mamardashvili、A. Gjeyzak

  DOI：10.3390/50600767

  日期：——

  The reduction and oxidation behaviour in alkaline solution of 3,7,13,17-tetramethyl-2,8,12,18-tetrabutylporphyrin (L) has been studied by cyclic voltammetry. The shape of I-E curves was investigated at different terminal values of electrode potential and at different scan rates. It was shown that it is possible to obtain two reversible one-electron electroreduction processes accompanied by the formation of mono- and dianion forms of the porphyrin under specific experimental conditions. The reduction potentials of the L↔L- and L-↔L2- processes are –0.67±0.02 V and –1.12±0.02 V, respectively.

  采用循环伏安法研究了3,7,13,17-四甲基-2,8,12,18-四丁基卟啉(L)在碱性溶液中的还原和氧化行为。研究了不同电极电位终值和不同扫描速率下的 I-E 曲线形状。结果表明，在特定的实验条件下，可以获得两个可逆的单电子电还原过程，同时形成卟啉的单阴离子和双阴离子形式。 L↔L-和L-↔L2-过程的还原电位分别为–0.67±0.02 V和–1.12±0.02 V。
• ——
  作者：N. Zh. Mamardashvili、Yu. B. Ivanova、V. B. Sheinin、O. A. Golubchikov、B. D. Berezin

  DOI：10.1023/a:1012334107965

  日期：——

  For 3,7,13,17-tetramethyl-2,8,12,18-tetrabutylporphyrin, 5,15-diphenyl-3,7,13,17-tetramethyl-2,8,12,18-tetrabutylporphyrin, and the cyclophane dimer in which the monomeric porphyrin fragments are bound via meta positions of the benzene rings with two -O(CH2)(3)O- bridges, the kinetics of complexation with copper(II) acetate in acetonitrile and the base ionization in the presence of perchloric acid were studied. The reactivity of these compounds in complexation with the metal cation in acetonitrile correlates with their basicity.
• ——
  作者：S. A. Syrbu、T. V. Lyubimova、A. S. Semeikin

  DOI：10.1023/a:1013936027631

  日期：——

  The electronic and steric effects of peripheral substituents on the yield of 5,15-diphenyloctaalkylporphines were studied. It was found that the electronic nature of substituents in the starting benzaldehydes exerts almost no yield effect. At the same time, there is some optimal size of substituents, which provides the highest possible yield of porphyrins.
• ——
  作者：O. V. Malkova

  DOI：10.1023/a:1023300404659

  日期：——

  Kinetics of interaction of diphenyl-substituted porphyrins and their derivatives with substituents in the phenyl fragments with zinc acetate in acetonitrile solution is studied. The effect of the solvent on the rate of coordination is shown. Kinetic parameters of complexation are calculated.