2,2'-(Ethylendioxy)diphenoldibenzylether | 73961-19-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,2'-(Ethylendioxy)diphenoldibenzylether
• 英文别名: 1,2-bis-(2-benzyloxy-phenoxy)-ethane；1,2-Bis-(2-benzyloxy-phenoxy)-aethan；1-(Benzyloxy)-2-{2-[2-(benzyloxy)phenoxy]ethoxy}benzene；1-phenylmethoxy-2-[2-(2-phenylmethoxyphenoxy)ethoxy]benzene
• CAS: 73961-19-0
• 化学式: C₂₈H₂₆O₄
• mdl: MFCD00331393
• 分子量: 426.512
• InChiKey: RGFYBNQQIXODGA-UHFFFAOYSA-N

物化性质

• 熔点：
  88-89 °C
• 沸点：
  575.6±45.0 °C(Predicted)
• 密度：
  1.159±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2'-(Ethylendioxy)diphenoldibenzylether 在 palladium on activated charcoal 氢气 、 sodium hydride 、 caesium carbonate 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 25.0~80.0 ℃ 、303.98 kPa 条件下， 反应 31.0h， 生成
  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
• 作为产物：
  描述：

  邻苯二酚 在 氢氧化钾 、 乙醇 、 sodium ethanolate 作用下， 生成 2,2'-(Ethylendioxy)diphenoldibenzylether
  参考文献：
  名称：

  Druey, Bulletin de la Societe Chimique de France, 1935, vol. <5> 2, p. 1737,1740

  摘要：

  DOI：

文献信息

• Structural Features of a Sulfur-Containing Group 4 Metalla[11]-crown-4 Derivative
  作者：Alexander Snell、Gerald Kehr、Birgit Wibbeling、Roland Frönlich、Gerhard Erker

  DOI：10.1515/znb-2003-0905

  日期：2003.9.1

  Treatment of the ligand system (ο-C₆H₄OH)-S-CH₂-CH₂-S-(ο-C₆H₄-OH) (2a) with TiCl₄ gave the metalla-crown ether derivative [(-S-CH₂-CH₂-S-)(ο-C₆H₄O)₂]TiCl₂ (5a). Complex 5a was characterized by an X-ray crystal structure analysis. It showed a pseudo-octahedral structure with both sulfur atoms being cis-coordinated to the metal center. The chloride ligands are also cispositioned, whereas the remaining two Ti−oxygen bonds are trans to each other to complete the distorted octahedral coordination geometry. The reaction of 2a with ZrCl₄ gave the analogous complex 5c. The related ligand system (ο-C₆H₄OH)-O-CH₂-CH₂-O-(ο-C₆H₄OH) (2b) was doubly deprotonated by treatment with butyl lithium and then reacted with TiCl₄ to yield the complex [(-O-CH₂-CH₂-O-)(ο-C₆H₄O)₂]TiCl₂ (5b).

  用TiCl4处理配体系统(ο-C6H4OH)-S-CH2-CH2-S-(ο-C6H4-OH)(2a)产生了metalla-crown ether衍生物[(-S-CH2-CH2-S-)(ο-C6H4O)2]TiCl2(5a)。通过X射线晶体结构分析表征了复合物5a。它显示出一个伪八面体结构，两个硫原子都与金属中心顺式配位。氯配体也是顺位排列的，而其余两个Ti-氧键则相互反向以完成扭曲的八面体配位几何。2a与ZrCl4的反应产生了类似的复合物5c。与此相关的配体系统(ο-C6H4OH)-O-CH2-CH2-O-(ο-C6H4OH)(2b)经过丁基锂处理后被双重去质子化，然后与TiCl4反应产生了复合物[(-O-CH2-CH2-O-)(ο-C6H4O)2]TiCl2(5b)。
• Ball; Cooper; Main, European Journal of Medicinal Chemistry, 1985, vol. 20, # 2, p. 137 - 143
  作者：Ball、Cooper、Main

  DOI：——

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• Voegtle, Fritz; Mueller, Walter M.; Weber, Edwin, Chemische Berichte, 1980, vol. 113, # 3, p. 1130 - 1137
  作者：Voegtle, Fritz、Mueller, Walter M.、Weber, Edwin

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• VOEGTLE F.; MUELLER W. M.; WEBER E., CHEM. BER., 1980, 113, NO 3, 1130-1137
  作者：VOEGTLE F.、 MUELLER W. M.、 WEBER E.

  DOI：——

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• 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

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  日期：——