2,9,16,23-tetrakis(1,1-dimethylethyl)phthalocyanine | 35984-93-1

• 物质功能分类: 有机原料 - 杂环化合物
• 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-tetrakis(1,1-dimethylethyl)phthalocyanine
• 英文别名: 2,10,16,24-tetra-tert-butyl-29H,31H-phthalocyanine；7,15,25,33-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28(38),30(37),31(36),32,34-nonadecaene；7,15,25,33-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28(38),30(37),31(36),32,34-nonadecaene
• CAS: 35984-93-1
• 化学式: C₄₈H₅₀N₈
• 分子量: 738.979
• InChiKey: SRBFZYJEWBTCEA-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C (lit.)
• 密度：
  1.222±0.06 g/cm3(Predicted)

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

安全信息

• WGK Germany：
  3

反应信息

• 作为产物：
  描述：

  、 5-叔丁基-1,3-二亚胺异吲哚啉 以 various solvent(s) 为溶剂， 反应 48.0h， 以9%的产率得到1-(2'-(9',16',23'-tris(1,1-dimethylethyl)phthalocyaninoxy))-3-(2'-(9',16',23'-tris(2,2-dimethylpropoxy)phthalocyaninoxy))-2-ethyl-2-methylpropane
  参考文献：
  名称：

  Syntheses of monometalated and unsymmetrically substituted binuclear phthalocyanines and a pentanuclear phthalocyanine by solution and polymer support methods

  摘要：

  Binuclear phthalocyanines in which two different phthalocyanine nuclei are covalently linked through five-atom bridges, derived from 2-ethyl-2-methylpropane-1,3-diol, are prepared. In the examples, one phthalocyanine ring is always substituted with neopentoxy substituents, while the other phthalocyanine ring is unsubstituted or contains tert-butyl substituents or a neopentoxy-substituted copper phthalocyanine, constituting a binuclear phthalocyanine in which only one ring is metalated. The precursor, 2-(2-(hydroxymethyl)-2-methylbutoxy)-9,16,23-trineopentoxyphthalocyanine was prepared in solution and also by solid-phase methods, using polymer-bound trityl chloride derived from a 1% divinylbenzene-co-styrene copolymer. A metal-free pentanuclear phthalocyanine, in which four phthalocyaninyl groups are covalently bound to the four benzo groups of a central phthalocyanine nucleus, is described and characterized by FAB mass spectroscopy. In some experiments some rare examples of demetalation of some zinc phthalocyanines are noted during phthalocyanine formation. A modified flash chromatography procedure proved to be useful for separating similarly substituted mononuclear phthalocyanines.

  DOI：

  10.1021/jo00001a019

文献信息

• Syntheses of monometalated and unsymmetrically substituted binuclear phthalocyanines and a pentanuclear phthalocyanine by solution and polymer support methods
  作者：Clifford C. Leznoff、Polina I. Svirskaya、Ben Khouw、Ronald L. Cerny、Penny Seymour、A. B. P. Lever

  DOI：10.1021/jo00001a019

  日期：1991.1

  Binuclear phthalocyanines in which two different phthalocyanine nuclei are covalently linked through five-atom bridges, derived from 2-ethyl-2-methylpropane-1,3-diol, are prepared. In the examples, one phthalocyanine ring is always substituted with neopentoxy substituents, while the other phthalocyanine ring is unsubstituted or contains tert-butyl substituents or a neopentoxy-substituted copper phthalocyanine, constituting a binuclear phthalocyanine in which only one ring is metalated. The precursor, 2-(2-(hydroxymethyl)-2-methylbutoxy)-9,16,23-trineopentoxyphthalocyanine was prepared in solution and also by solid-phase methods, using polymer-bound trityl chloride derived from a 1% divinylbenzene-co-styrene copolymer. A metal-free pentanuclear phthalocyanine, in which four phthalocyaninyl groups are covalently bound to the four benzo groups of a central phthalocyanine nucleus, is described and characterized by FAB mass spectroscopy. In some experiments some rare examples of demetalation of some zinc phthalocyanines are noted during phthalocyanine formation. A modified flash chromatography procedure proved to be useful for separating similarly substituted mononuclear phthalocyanines.