4-(3',5'-di-[1'',4'',7'',10''-tetraoxaundecyl]benzyloxy)phthalonitrile | 571150-62-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(3',5'-di-[1'',4'',7'',10''-tetraoxaundecyl]benzyloxy)phthalonitrile
• 英文别名: 4-[[3,5-Bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]benzene-1,2-dicarbonitrile
• CAS: 571150-62-4
• 化学式: C₂₉H₃₈N₂O₉
• 分子量: 558.629
• InChiKey: JEGGJLZRDPAMGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  40
• 可旋转键数：
  23
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  131
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  4-(3',5'-di-[1'',4'',7'',10''-tetraoxaundecyl]benzyloxy)phthalonitrile 在 lithium amylate 、 溶剂黄146 作用下， 以 戊醇 为溶剂， 生成 7,16,25,34-Tetrakis[[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-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
  参考文献：
  名称：

  Phthalocyanine-centred aryl ether dendrimers with oligo(ethyleneoxy) surface groups

  摘要：

  The synthesis of phthalocyanine-centred aryl ether dendrimers possessing oligo(ethyleneoxy) surface groups is described. These materials are soluble in polar protic solvents. The tendency of the non-polar phthalocyanine core to aggregate in such solvents is eliminated by placing the dendritic substituents at the axial sites. however, aggregation is not reduced by peripheral dendritic substitution. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02155-9
• 作为产物：
  描述：

  对甲苯磺酸三缩乙二醇单甲醚酯 在 lithium aluminium tetrahydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 二甲基亚砜 、 丙酮 为溶剂， 反应 168.0h， 生成 4-(3',5'-di-[1'',4'',7'',10''-tetraoxaundecyl]benzyloxy)phthalonitrile
  参考文献：
  名称：

  Phthalocyanine-centred and naphthalocyanine-centred aryl ether dendrimers with oligo(ethyleneoxy) surface groups

  摘要：

  The synthesis of the 1st, 2nd and 3rd generation phthalocyanine-centred and naphthalocyanine-centred poly(aryl ether) dendrimers possessing oligo(ethyleneoxy) surface groups is described. These materials are soluble in polar protic solvents. For both types of macrocycle, the tendency of the non-polar phthalocyanine core towards intermolecular cofacial aggregation is not reduced by peripheral dendritic substitution. However, the prohibition of cofacial aggregation can be achieved by placing the dendritic substituents at the axial sites of the silicon-containing macrocycle. A single crystal X-ray diffraction analysis of one of these compounds beautifully illustrates this concept. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00436-8

文献信息

• Phthalocyanine-centred and naphthalocyanine-centred aryl ether dendrimers with oligo(ethyleneoxy) surface groups
  作者：Matthew Brewis、Madeleine Helliwell、Neil B. McKeown

  DOI：10.1016/s0040-4020(03)00436-8

  日期：2003.5

  The synthesis of the 1st, 2nd and 3rd generation phthalocyanine-centred and naphthalocyanine-centred poly(aryl ether) dendrimers possessing oligo(ethyleneoxy) surface groups is described. These materials are soluble in polar protic solvents. For both types of macrocycle, the tendency of the non-polar phthalocyanine core towards intermolecular cofacial aggregation is not reduced by peripheral dendritic substitution. However, the prohibition of cofacial aggregation can be achieved by placing the dendritic substituents at the axial sites of the silicon-containing macrocycle. A single crystal X-ray diffraction analysis of one of these compounds beautifully illustrates this concept. (C) 2003 Elsevier Science Ltd. All rights reserved.
• Phthalocyanine-centred aryl ether dendrimers with oligo(ethyleneoxy) surface groups
  作者：Matthew Brewis、Madeline Helliwell、Neil B McKeown、Stephen Reynolds、Andrew Shawcross

  DOI：10.1016/s0040-4039(00)02155-9

  日期：2001.1

  The synthesis of phthalocyanine-centred aryl ether dendrimers possessing oligo(ethyleneoxy) surface groups is described. These materials are soluble in polar protic solvents. The tendency of the non-polar phthalocyanine core to aggregate in such solvents is eliminated by placing the dendritic substituents at the axial sites. however, aggregation is not reduced by peripheral dendritic substitution. (C) 2001 Elsevier Science Ltd. All rights reserved.