4,5-dicyano-1,2-[7-(3,4,5-tri-decyloxyphenyl-1-carbonyl)-7-aza-1,4,10,13-tetraoxatridecamethylene-benzene | 748157-35-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,5-dicyano-1,2-[7-(3,4,5-tri-decyloxyphenyl-1-carbonyl)-7-aza-1,4,10,13-tetraoxatridecamethylene-benzene
• 英文别名: 8-(3,4,5-Tris-decoxybenzoyl)-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17,18-dicarbonitrile
• CAS: 748157-35-9
• 化学式: C₅₃H₈₃N₃O₈
• 分子量: 890.257
• InChiKey: JPHQISPKUGDSIA-UHFFFAOYSA-N

物化性质

• 熔点：
  84 °C
• 沸点：
  925.3±65.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  64
• 可旋转键数：
  31
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  zinc diacetate 、 4,5-dicyano-1,2-[7-(3,4,5-tri-decyloxyphenyl-1-carbonyl)-7-aza-1,4,10,13-tetraoxatridecamethylene-benzene 在 1,8-diazabicyclo [5.4.0] undec-7-ene 作用下， 以 further solvent(s) 为溶剂， 以26%的产率得到2,9(10),16(17),23(24)-tetrakis-(4-(2-(2-[2-(2-hydroxyethoxy)ethoxy]ethoxy)ethoxy))phthalocyaninato zinc(II)
  参考文献：
  名称：

  Synthesis and liquid-crystalline behaviour of Ni(II) and Zn(II) phthalocyanines with peripheral monoazacrown ethers

  摘要：

  The synthesis of metallo derivatives (Ni, Zn) of phthalocyanines obtained from a 4,5-dicyanobenzomonoazacrown ether substituted with a long alkoxyphenyl chain (5a, 5b) are described. The new compounds have been characterized by elemental analysis, IR, NMR and electronic spectroscopy, and mass spectra. The thermal stabilities of the pc compounds were determined by thermogravimetric analysis. The mesogenic properties of these new materials were studied by differential scanning calorimetry (DSC), optical microscopy and X-ray diffraction patterns of the mesophases. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.04.031

文献信息

• Synthesis and liquid-crystalline behaviour of Ni(II) and Zn(II) phthalocyanines with peripheral monoazacrown ethers
  作者：Fatma Yılmaz、Devrim Atilla、Vefa Ahsen

  DOI：10.1016/j.poly.2004.04.031

  日期：2004.7

  The synthesis of metallo derivatives (Ni, Zn) of phthalocyanines obtained from a 4,5-dicyanobenzomonoazacrown ether substituted with a long alkoxyphenyl chain (5a, 5b) are described. The new compounds have been characterized by elemental analysis, IR, NMR and electronic spectroscopy, and mass spectra. The thermal stabilities of the pc compounds were determined by thermogravimetric analysis. The mesogenic properties of these new materials were studied by differential scanning calorimetry (DSC), optical microscopy and X-ray diffraction patterns of the mesophases. (C) 2004 Elsevier Ltd. All rights reserved.