2,9,16-tri(tert-butyl)-23-(10-hydroxydecyloxy)phthalocyanine | 485331-97-3

• 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-tri(tert-butyl)-23-(10-hydroxydecyloxy)phthalocyanine
• 英文别名: 2,9,16-Tri(t-butyl)-23-(10-hydroxydecyloxy)phthalocyanine；10-[(15,24,33-tritert-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(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaen-6-yl)oxy]decan-1-ol
• CAS: 485331-97-3
• 化学式: C₅₄H₆₂N₈O₂
• 分子量: 855.139
• InChiKey: NKKVHAWQJQEDBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.3
• 重原子数：
  64
• 可旋转键数：
  14
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  138
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  甲基磺酰氯 、 2,9,16-tri(tert-butyl)-23-(10-hydroxydecyloxy)phthalocyanine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以96%的产率得到2,9,16-tri(tert-butyl)-23-(10-methanesulfonyloxydecyloxy)phthalocyanine
  参考文献：
  名称：

  Synthesis and Self-Assembly of 2,9,16-Tri(tert-butyl)-23-(10-mercaptodecyloxy)phthalocyanine and the Application of Its Self-Assembled Monolayers in Organic Light-Emitting Diodes

  摘要：

  2,9,16-Tri(tert-butyl)-23-(10-mercaptodecyloxy)phthalocyanine (8) and its disulfide (9) have been synthesized and characterized, and their self-assembling behaviors on gold substrates have been studied. Characteristic Q-bands were observed at about 630 nm in the UV/visible spectra of the self-assembling monolayers (SAMs). They were broadened and blue-shifted relative to those observed in solution. Binding energies for S2p have the same values (161.70 eV) and are in accord with those for gold thiolates. The application of the SAMs in organic light-emitting diode was investigated. It shows that the SAM promotes the hole injection process from the anode.

  DOI：

  10.1002/1521-3765(20020916)8:18<4179::aid-chem4179>3.0.co;2-l
• 作为产物：
  描述：

  1,10-癸二醇 在 lithium 、 potassium carbonate 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 乙醇 、 戊醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 42.0h， 生成 2,9,16-tri(tert-butyl)-23-(10-hydroxydecyloxy)phthalocyanine
  参考文献：
  名称：

  Synthesis and Self-Assembly of 2,9,16-Tri(tert-butyl)-23-(10-mercaptodecyloxy)phthalocyanine and the Application of Its Self-Assembled Monolayers in Organic Light-Emitting Diodes

  摘要：

  2,9,16-Tri(tert-butyl)-23-(10-mercaptodecyloxy)phthalocyanine (8) and its disulfide (9) have been synthesized and characterized, and their self-assembling behaviors on gold substrates have been studied. Characteristic Q-bands were observed at about 630 nm in the UV/visible spectra of the self-assembling monolayers (SAMs). They were broadened and blue-shifted relative to those observed in solution. Binding energies for S2p have the same values (161.70 eV) and are in accord with those for gold thiolates. The application of the SAMs in organic light-emitting diode was investigated. It shows that the SAM promotes the hole injection process from the anode.

  DOI：

  10.1002/1521-3765(20020916)8:18<4179::aid-chem4179>3.0.co;2-l

文献信息

• Synthesis and Self-Assembly of 2,9,16-Tri(tert-butyl)-23-(10-mercaptodecyloxy)phthalocyanine and the Application of Its Self-Assembled Monolayers in Organic Light-Emitting Diodes
  作者：Xuebin Huang、Yunqi Liu、Shuai Wang、Shuqin Zhou、Daoben Zhu

  DOI：10.1002/1521-3765(20020916)8:18<4179::aid-chem4179>3.0.co;2-l

  日期：2002.9.16

  2,9,16-Tri(tert-butyl)-23-(10-mercaptodecyloxy)phthalocyanine (8) and its disulfide (9) have been synthesized and characterized, and their self-assembling behaviors on gold substrates have been studied. Characteristic Q-bands were observed at about 630 nm in the UV/visible spectra of the self-assembling monolayers (SAMs). They were broadened and blue-shifted relative to those observed in solution. Binding energies for S2p have the same values (161.70 eV) and are in accord with those for gold thiolates. The application of the SAMs in organic light-emitting diode was investigated. It shows that the SAM promotes the hole injection process from the anode.