2,2'-<1,2-Ethandiyloxybis(oxy-2,1-phenylenoxy)>bisethanol-dibenzylether | 82264-96-8

• 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: 2,2'-<1,2-Ethandiyloxybis(oxy-2,1-phenylenoxy)>bisethanol-dibenzylether
• 英文别名: 2,2'-ethylenebis(oxy-o-phenyleneoxy)diethyl dibenzyl ether；1-(2-phenylmethoxyethoxy)-2-[2-[2-(2-phenylmethoxyethoxy)phenoxy]ethoxy]benzene
• CAS: 82264-96-8
• 化学式: C₃₂H₃₄O₆
• 分子量: 514.618
• InChiKey: LKDYIUWNRGGPMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.34
• 重原子数：
  38.0
• 可旋转键数：
  17.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,2'-<1,2-Ethandiyloxybis(oxy-2,1-phenylenoxy)>bisethanol-dibenzylether 在 palladium on activated charcoal 、 氢气 、 sodium hydride 作用下， 以 乙酸乙酯 为溶剂， 反应 10.5h， 生成 2,2'-<1,2-Ethandiylbis(oxy-2,1-phenylenoxy)>bisethanoldidodecylether
  参考文献：
  名称：

  Weber, Edwin, Liebigs Annalen der Chemie, 1983, # 5, p. 770 - 801

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2'-(Ethylendioxy)diphenoldibenzylether 在 palladium on activated charcoal 氢气 、 caesium carbonate 作用下， 以 乙酸乙酯 为溶剂， 25.0~80.0 ℃ 、303.98 kPa 条件下， 反应 11.0h， 生成 2,2'-<1,2-Ethandiyloxybis(oxy-2,1-phenylenoxy)>bisethanol-dibenzylether
  参考文献：
  名称：

  Macroring-neutral molecule complexation. Synthesis of biconcave pyridino hosts, complex formation, and x-ray crystal structures of two inclusion compounds

  摘要：

  A series of pyridino macrocycles 1-3(a-e) incorporating rigid bi- and triaryl ether segments in different ring positions have been synthesized. The effect of incorporation of these building blocks into a given macroring framework on the host properties for uncharged-molecule inclusion has been studied. Symmetric 21-membered macrorings 1c, 1d, or 2c, 2d with tri-o-phenylene, tri-2,3-naphthylene, or mixed phenylene naphthylene ether units are efficient hosts in solid-state complexation of dipolar-aprotic and apolar guests such as nitro compounds and nitriles as well as DMF, DMSO, THF, dioxane, or benzene. X-ray analyses of the solid-state complexes of 1d with PhNO2 (1:1) and MeCN (1:1) have been studied. It is shown that the presence of the triaryl ether segment induces a biconcave nonequally sided host conformation suitable for guest inclusion. The packing characterizes the host-guest topologies of the two inclusion compounds to be of (H-bonded) cavitate-type for the MeCN case and of interstitial channel type for the PhNO2 case. A comparative discussion of the present and previous results support the interpretation of hemispherand preorganization for the new host structures.

  DOI：

  10.1021/jo00003a055

文献信息

• Polytopic cation receptors. 2. Synthesis and selective complex formation of spiro-linked "multiloop crown compounds"
  作者：Edwin Weber

  DOI：10.1021/jo00139a019

  日期：1982.8
• WEBER, EDWIN;KOHLER, HANS-JURGEN;REUTER, HANS, J. QRG. CHEM., 56,(1991) N, C. 1236-1242
  作者：WEBER, EDWIN、KOHLER, HANS-JURGEN、REUTER, HANS

  DOI：——

  日期：——
• WEBER, E., J. ORG. CHEM., 1982, 47, N 18, 3478-3486
  作者：WEBER, E.

  DOI：——

  日期：——
• WEBER, E., LIEBIGS ANN. CHEM., 1983, N 5, 770-801
  作者：WEBER, E.

  DOI：——

  日期：——