2,9,16,23-tetra-tert-butylphthalocyanine | 62132-82-5

• 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: 2,9,16,23-tetra-tert-butylphthalocyanine
• 英文别名: 8,17,26,35-Tetratert-butyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,30(37),31(36),32,34-nonadecaene
• CAS: 62132-82-5
• 化学式: C₄₈H₅₀N₈
• 分子量: 738.979
• InChiKey: PUNKGXBRMXMGBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  56
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  iron(III)-acetylacetonate 、 2,9,16,23-tetra-tert-butylphthalocyanine 在 1,8-diazabicyclo[5.4.0]undec-7-ene 作用下， 以 1,2-dichloro-benzene 为溶剂， 以98%的产率得到[iron(III)(tetra-tert-butylphthalocyanine)(acetylacetonate)]
  参考文献：
  名称：

  Heterogenized Fe(III) phthalocyanine: Synthesis, characterization and application in liquid-phase oxidation of phenol

  摘要：

  Tetra-tort-butyl substituted FePc(acac) complexes were supported upon mesoporous molecular sieves MCM-41 and SBA-15 via adsorption and coordination bondings as well as by covalent grafting. Prepared materials were characterized by UV-vis, MALDI, N-2-BET, SEM, TEM, FTIR, C-13, Si-29 NMR and DSC-TG techniques. Supported FePcs exhibited high activity in liquid-phase oxidation of phenol with H2O2. The most resistant towards oxidative degradation were shown to be the covalently grafted FePc species. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2009.11.017