2,9,16,23-tetraneopentoxyphthalocyanine | 93673-00-8

• 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-tetraneopentoxyphthalocyanine
• 英文别名: tetra(neopentoxy)phthalocyanine；7,16,25,34-Tetrakis(2,2-dimethylpropoxy)-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；7,16,25,34-tetrakis(2,2-dimethylpropoxy)-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: 93673-00-8
• 化学式: C₅₂H₅₈N₈O₄
• 分子量: 859.084
• InChiKey: LDWMGCFCFHGLGZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.230±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.1
• 重原子数：
  64
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  146
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2,9,16,23-tetraneopentoxyphthalocyanine 、 zinc acetate 生成 2,9,16,23-tetraneopentoxyphthalocyanine zinc(II)
  参考文献：
  名称：

  GREENBERG, SHAFRIRA;LEVER, A. B. P.;LEZNOFF, CLIFFORD C., CAN. J. CHEM., 66,(1988) N 5, C. 1059-1064

  摘要：

  DOI：
• 作为产物：
  描述：

  1-imino-3-methylthio-6-neopentoxyisoindolenine 以 various solvent(s) 为溶剂， 反应 60.0h， 以18%的产率得到2,9,16,23-tetraneopentoxyphthalocyanine
  参考文献：
  名称：

  Greenberg, Shafrira; Lever, A. B. P.; Leznoff, Clifford C., Canadian Journal of Chemistry, 1988, vol. 66, p. 1059 - 1064

  摘要：

  DOI：

文献信息

• The synthesis of phthalocyanines at room temperature
  作者：Clifford C. Leznoff、Mougang Hu、Kieran J. M. Nolan

  DOI：10.1039/cc9960001245

  日期：——

  Condensation of 4-substituted phthalonitriles with lithium 2-N,N-dimethylaminoethoxide in 2-N,N-dimethylamino-ethanol gives a non-statistical mixture of tetrasubstituted phthalocyanines at room temperature or lower while 3-substituted phthalonitriles similarly condense with lithium octan-1-olate in octan-1-ol giving 1,8,15,22-tetra-substituted phthalocyanines as pure isomers.

  在室温或更低的温度下，4-取代酞腈与 2-N,N-二甲氨基乙醇中的 2-N,N-二甲氨基乙醇锂缩合，会产生四取代酞菁的非统计混合物，而 3-取代酞腈与辛烷-1-醇中的辛烷-1-醇酸锂缩合，同样会产生 1,8,15,22-四取代酞菁的纯异构体。
• Synthesis, spectroscopy, electrochemistry, spectroelectrochemistry, Langmuir-Blodgett film formation, and molecular orbital calculations of planar binuclear phthalocyanines
  作者：Nagao Kobayashi、Herman Lam、W. Andrew Nevin、Pavel Janda、Clifford C. Leznoff、Toshiki Koyama、Atsushi Monden、Hirofusa Shirai

  DOI：10.1021/ja00082a007

  日期：1994.2

  A planar binuclear phthalocyanine and its dizinc and dicobalt derivatives, in which two phthalocyanine units share a common benzene ring, have been studied by spectroscopy, electrochemistry, and spectroelectrochemistry. Their Langmuir-Blodgett film-forming properties have been examined, and the results of molecular orbital calculations on these and related systems are also presented. The properties

  已经通过光谱学、电化学和光谱电化学研究了平面双核酞菁及其二锌和二钴衍生物，其中两个酞菁单元共享一个公共苯环。已经检查了它们的 Langmuir-Blodgett 成膜特性，并且还介绍了这些系统和相关系统的分子轨道计算结果。将这些特性与相应的单核对照分子的特性进行比较。紫外-可见-近红外吸收和磁性圆二色光谱以及循环和微分脉冲伏安法表明，在这些化合物中，两个相对独立的发色团单元相互作用，因此两个酞菁平面在溶液中不是完全平面的
• Selective Synthesis of Binuclear and Trinuclear Phthalocyanines Covalently Linked by a One Atom Oxygen Bridge
  作者：Shafrira Greenberg、Sebastian M. Marcuccio、Clifford C. Leznoff、Kenneth B. Tomer

  DOI：10.1055/s-1986-31654

  日期：——

  The diiminoisoindolines obtained from 4-neopentoxyphthalonitrile and bis[3, 4-dicyanophenyl] ether gave, in a mixed condensation reaction, binuclear and trinuclear phthalocyanines covalently linked by one atom oxy bridges with the dimer predominating. The underivatized 4-neopentoxyphthalonitrile condensed with the diiminoisoindoline of bis[3,4-dicyanophenyl] ether in a cross reaction to give the same dimer and trimeric phthalocyanines but the trimer predominated in this reaction. A cobalt derivative of bis-2-[19,16,23-trineopentoxyphthalocyaninyl] ether, the binuclear phthalocyanine, was prepared. All phthalocyanines exhibited parent ions in their fast atom bombardment mass spectra.

  由4-新戊氧基邻苯二甲腈和双[3,4-二氰基苯基]醚获得的二亚氨基异吲哚啉在混合缩合反应中产生通过单原子氧桥共价连接的双核和三核酞菁，其中二聚体占主导地位。未衍生化的4-新戊氧基邻苯二甲腈与双[3,4-二氰基苯基]醚的二亚氨基异吲哚啉在交叉反应中缩合，得到相同的二聚体和三聚酞菁，但在该反应中以三聚体为主。制备了双-2-[19,16,23-三新戊氧基酞菁]醚的钴衍生物，即双核酞菁。所有酞菁在其快原子轰击质谱中均显示出母离子。
• Leznoff, Clifford C.; Marcuccio, Sebastian M.; Greenberg, Shafrira, Canadian Journal of Chemistry, 1985, vol. 63, p. 623 - 631
  作者：Leznoff, Clifford C.、Marcuccio, Sebastian M.、Greenberg, Shafrira、Lever, A. B. P.、Tomer, Kenneth B.

  DOI：——

  日期：——
• Dieing, Reinhold; Schmid, Gabriele; Witke, Elisabeth, Chemische Berichte, 1995, vol. 128, # 6, p. 589 - 598
  作者：Dieing, Reinhold、Schmid, Gabriele、Witke, Elisabeth、Feucht, Carola、Dressen, Michael、et al.

  DOI：——

  日期：——