1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadeca(cyclohexylmethyloxy)phthalocyanine

• 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: 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadeca(cyclohexylmethyloxy)phthalocyanine
• 英文别名: CyHxPc(2-)H2；5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-Hexadecakis(cyclohexylmethoxy)-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28(38),30(37),31(36),32,34-nonadecaene；5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecakis(cyclohexylmethoxy)-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28(38),30(37),31(36),32,34-nonadecaene
• 化学式: C₁₄₄H₂₁₀N₈O₁₆
• 分子量: 2309.3
• InChiKey: NMMHCGKWWRHQST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  43.8
• 重原子数：
  168
• 可旋转键数：
  48
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  257
• 氢给体数：
  2
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadeca(cyclohexylmethyloxy)phthalocyanine 、 manganese(II) acetate 以 N,N-二甲基甲酰胺 为溶剂， 以66%的产率得到1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadeca(cyclohexylmethyloxy)phthalocyaninato manganese(III) acetate
  参考文献：
  名称：

  Red manganese phthalocyanines from highly hindered hexadecaalkoxyphthalocyanines

  摘要：

  Highly hindered magnesium and metal-free green 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadecaneopentoxyphthalocyanine and 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadeca(cyclohexylmethyloxy)phthalocyanine were prepared via magnesium 1-octanolate and 3,4,5,6-tetraneopenioxyphthalonitrile or 3,4,5,6-tetra(cyclohexylmethyloxy)phthalonitrile. Treatment of the metal-free phthalocyanine with Mn(OAc)(2) yielded deep red manganese(III) hexadecaalkoxy phthalocyanines. Electrochemical and spectroelectrochemical studies led to the characterization, in solution, of a series of species in a range of different manganese and phthalocyanine oxidation states. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.10.046

文献信息

• [EN] PHTHALOCYANINE COMPOUNDS<br/>[FR] COMPOSES DE PHTALOCYANINE
  申请人：YORK UNIVERSITY

  公开号：WO2004106436A1

  公开（公告）日：2004-12-09

  Phthalocyanine compounds having the formula (II); wherein: M is Ni, Pb or Mn; and R is the same or different and is chosen from the group consisting of: neopentoxy; cyclohexylmethyloxy; substituted or non-substituted, cyclic or non-cyclic alkoxy; and substituted or non-substituted benzyloxy. A method for producing the present compounds is also provided.

  具有化学式（II）的酞菁化合物；其中：M为Ni、Pb或Mn；R相同或不同，选自以下组合之一：新戊氧基；环己基甲氧基；取代或未取代的环状或非环状烷氧基；以及取代或未取代的苯甲氧基。还提供了一种生产这些化合物的方法。
• Red manganese phthalocyanines from highly hindered hexadecaalkoxyphthalocyanines
  作者：Clifford C. Leznoff、L. Scott Black、Annette Hiebert、Patrick W. Causey、Dharamdat Christendat、A.B.P. Lever

  DOI：10.1016/j.ica.2005.10.046

  日期：2006.6

  Highly hindered magnesium and metal-free green 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadecaneopentoxyphthalocyanine and 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadeca(cyclohexylmethyloxy)phthalocyanine were prepared via magnesium 1-octanolate and 3,4,5,6-tetraneopenioxyphthalonitrile or 3,4,5,6-tetra(cyclohexylmethyloxy)phthalonitrile. Treatment of the metal-free phthalocyanine with Mn(OAc)(2) yielded deep red manganese(III) hexadecaalkoxy phthalocyanines. Electrochemical and spectroelectrochemical studies led to the characterization, in solution, of a series of species in a range of different manganese and phthalocyanine oxidation states. (c) 2005 Elsevier B.V. All rights reserved.