2,3,9,10,16,17,23,24-octakis[2-(dimethylamino)ethylthio]-29H,31H-phthalocyanine | 373392-73-5

• 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: 2,3,9,10,16,17,23,24-octakis[2-(dimethylamino)ethylthio]-29H,31H-phthalocyanine
• 英文别名: 2,3,9,10,16,17,23,24-octakis[2-(dimethylamino)ethylthio]phthalocyanine；2-[[7,15,16,24,25,33,34-heptakis[2-(dimethylamino)ethylsulfanyl]-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaen-6-yl]sulfanyl]-N,N-dimethylethanamine
• CAS: 373392-73-5
• 化学式: C₆₄H₉₀N₁₆S₈
• 分子量: 1340.05
• InChiKey: OBXUPGAFTFBYOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  88
• 可旋转键数：
  32
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  337
• 氢给体数：
  2
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  2,3,9,10,16,17,23,24-octakis[2-(dimethylamino)ethylthio]-29H,31H-phthalocyanine 、 碘甲烷 以 氯仿 为溶剂， 反应 3.0h， 以84%的产率得到
  参考文献：
  名称：

  Synthesis of New Metal-Free and Metal-Containing Phthalocyanines with Tertiaryor Quaternary Aminoethyl Substituents

  摘要：

  A novel phthalodinitrile derivative carrying dimethylatrunoethylsulfanyl groups at positions 4 and 5 was synthesized from 2-dimethylaminoethanethiol hydrochloride and 1,2-dichloro-4,5-dicyanobenzene. Its cyclotetramerization in the presence of 2-dimethylamino-ethanol or metal salts (CoCl2, Zn(OAc)(2)) gave metal-free or metal-containing phthalocyanines (M = Co or Zn). These phthalocyanines were converted into water soluble quaternized products by reaction with methyl iodide. The new compounds were characterized by elemental analysis, IR, NMR, and electronic spectra.

  DOI：

  10.1007/s007060170068
• 作为产物：
  描述：

  4,5-二氯邻苯二甲腈 在 N,N-二甲基乙醇胺 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 2,3,9,10,16,17,23,24-octakis[2-(dimethylamino)ethylthio]-29H,31H-phthalocyanine
  参考文献：
  名称：

  Synthesis of New Metal-Free and Metal-Containing Phthalocyanines with Tertiaryor Quaternary Aminoethyl Substituents

  摘要：

  A novel phthalodinitrile derivative carrying dimethylatrunoethylsulfanyl groups at positions 4 and 5 was synthesized from 2-dimethylaminoethanethiol hydrochloride and 1,2-dichloro-4,5-dicyanobenzene. Its cyclotetramerization in the presence of 2-dimethylamino-ethanol or metal salts (CoCl2, Zn(OAc)(2)) gave metal-free or metal-containing phthalocyanines (M = Co or Zn). These phthalocyanines were converted into water soluble quaternized products by reaction with methyl iodide. The new compounds were characterized by elemental analysis, IR, NMR, and electronic spectra.

  DOI：

  10.1007/s007060170068

文献信息

• Electrode material for organic semiconductor device
  申请人：FUJIFILM Corporation

  公开号：US10319928B2

  公开（公告）日：2019-06-11

  An object of the present invention is to provide an electrode material for an organic semiconductor device which maintains excellent conductivity and of which contact properties with an organic semiconductor becomes favorable. The electrode material for an organic semiconductor device of the present invention contains inorganic nanoparticles and an organic π-conjugated ligand, in which the organic π-conjugated ligand is a ligand having at least one electron-withdrawing substituent.

  本发明的目的是提供一种用于有机半导体器件的电极材料，该材料可保持良好的导电性，且与有机半导体的接触特性变得有利。本发明的有机半导体器件电极材料包含无机纳米粒子和有机π-共轭配体，其中有机π-共轭配体是一种至少具有一个抽电子取代基的配体。
• Transparent electrode and organic electronic device including the same
  申请人：Konica Minolta, Inc.

  公开号：US10675842B2

  公开（公告）日：2020-06-09

  A transparent electrode has excellent adhesion between a substrate and a conductive layer. A transparent electrode includes a substrate, an underlying layer, and a conductive layer sequentially stacked. The underlying layer contains at least one selected from a compound having a thiol group and a poly(meth)acrylate and a poly(meth)acrylamide each having an aminoethyl group.

  一种透明电极在基底和导电层之间具有极佳的附着力。透明电极包括依次堆叠的基底、底层和导电层。底层包含至少一种选自具有硫醇基团的化合物和具有氨基乙基的聚甲基丙烯酸酯和聚甲基丙烯酰胺。
• Nanoink Composition
  申请人：Kanehara Masayuki

  公开号：US20130001479A1

  公开（公告）日：2013-01-03

  Disclosed is a nanoink composition which can impart electrical conductivity to a surface-protecting ligand layer of an inorganic nanoparticle and does not require any post-treatment such as the removal of ligands. Specifically disclosed is a nanoink composition comprising inorganic nanoparticles ( 1 ) and an organic n-conjugated ligand ( 3 ), and characterized in that the organic n-conjugated ligand ( 3 ) is bound to the inorganic nanoparticles ( 1 ) via n-conjugation to exhibit electrical conductivity.
• ELECTRODE MATERIAL FOR ORGANIC SEMICONDUCTOR DEVICE
  申请人：FUJIFILM Corporation

  公开号：US20170358765A1

  公开（公告）日：2017-12-14

  An object of the present invention is to provide an electrode material for an organic semiconductor device which maintains excellent conductivity and of which contact properties with an organic semiconductor becomes favorable. The electrode material for an organic semiconductor device of the present invention contains inorganic nanoparticles and an organic π-conjugated ligand, in which the organic π-conjugated ligand is a ligand having at least one electron-withdrawing substituent.
• TRANSPARENT ELECTRODE AND ORGANIC ELECTRONIC DEVICE INCLUDING THE SAME
  申请人：Konica Minolta, Inc.

  公开号：US20190047258A1

  公开（公告）日：2019-02-14

  A transparent electrode has excellent adhesion between a substrate and a conductive layer. A transparent electrode includes a substrate, an underlying layer, and a conductive layer sequentially stacked. The underlying layer contains at least one selected from a compound having a thiol group and a poly(meth)acrylate and a poly(meth)acrylamide each having an aminoethyl group.