25,27-bis(2-ethoxyethoxy)calix[4]arene | 177412-46-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 25,27-bis(2-ethoxyethoxy)calix[4]arene
• 英文别名: 26,28-Bis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,27-diol
• CAS: 177412-46-3
• 化学式: C₃₆H₄₀O₆
• 分子量: 568.71
• InChiKey: BAIPRFZKZGXAGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  25,27-bis(2-ethoxyethoxy)calix[4]arene 在 sodium hydride 、 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 24.25h， 生成 25,27-bis(2-ethoxyethoxy)-26,28-bis(3-aminopropoxy)calix[4]arene
  参考文献：
  名称：

  包含磺酰胺部分的杯芳烃：用于碳酸酐酶抑制的多功能配体

  摘要：

  带有以初级苯磺酰胺终止的臂的杯芳烃衍生物证明了它们抑制人碳酸酐酶的能力，并且在酶的不同异构体中具有显着的效率和选择性。X射线衍射数据和MD计算支持苯磺酰胺臂渗透到酶活性位点的漏斗中并与蛋白质Zn 2+离子相互作用的结合模式。

  DOI：

  10.1002/chem.202103527
• 作为产物：
  描述：

  2-溴乙基乙基醚 、 杯[4]芳烃 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 72.0h， 以78%的产率得到25,27-bis(2-ethoxyethoxy)calix[4]arene
  参考文献：
  名称：

  Arena, Giuseppe; Casnati, Alessandro; Contino, Annalinda, Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 3, p. 419 - 423

  摘要：

  DOI：

文献信息

• Synthesis and metal-binding properties of [60]fullerene-linked calix[4]arenes: an approach to ‘exohedral metallofullerenes’
  作者：Masaru Kawaguchi、Atsushi Ikeda、Seiji Shinkai

  DOI：10.1039/a707258i

  日期：——

  ‘Fullerenocalixarenes’ in which [60]fullerene is covalently linked through two ionophoric chains to a cone-calix[4]arene 1 or to a 1,3-alternate calix[4]arene 2 have been synthesized for the first time: although the absorption spectrum of 2 is scarcely changed upon addition of metal cations, that of 1 is affected by added Li+, Na+ and Ag+, indicating the formation of exohedral [60]fullerene–metal complexes.

  首次合成了“富勒烯基冠醚”，其中[60]富勒烯通过两个载体链共价连接到锥形冠醚[4]芳烃1或连接到1,3-交替冠醚[4]芳烃2。虽然金属阳离子加入后2的吸收光谱几乎没有变化，但1的吸收光谱受加入的Li+、Na+和Ag+的影响，表明形成了外接的[60]富勒烯-金属配合物。
• Van Bommel, Kjeld J. C.; Westerhof, Folke; Verboom, Willem, Journal fur Praktische Chemie (Weinheim), 1999, vol. 341, # 3, p. 284 - 290
  作者：Van Bommel, Kjeld J. C.、Westerhof, Folke、Verboom, Willem、Reinhoudt, David N.、Hulst, Ron

  DOI：——

  日期：——
• Hioki; Nakaoka; Maruyama, Journal of the Chemical Society. Perkin Transactions 1 (2001), 2001, # 24, p. 3265 - 3268
  作者：Hioki、Nakaoka、Maruyama、Kodama

  DOI：——

  日期：——
• Light-switched metal-tunneling across a π-basic tube of 1,3-alternate-calix[4]arenes
  作者：Takanobu Tsudera、Atsushi Ikeda、Seiji Shinkai

  DOI：10.1016/s0040-4020(97)00893-4

  日期：1997.10

  Three 1,3-alternate-calix[4]arenes (1 similar to 3) bearing two anthracenyl groups at one side and two propoxyl or ethoxyethoxyl groups at the other side were synthesized. The aim of this molecular design is to reversibly change the metal-binding ability of the anthracene-linked side through their photoinduced cycloaddition and reverse thermal decomposition. Since certain metal cations tend to pass from one side to the other side across a pi-basic calix[4]arene tube, one can expect that a light-triggered metal tunneling for this molecule. In compounds 1 and 2 the rate of the metal tunneling was faster than the H-1 NMR timescale and the distribution of metal cations between two sides could not be determined. In a 3 . Ag+ complex the coalescence temperature appeared at -20 degrees C and Ag+ is bound to the ethoxyethoxyl side more than to the anthracenyl side in the dark. After photoirradiation Ag+ was exclusively bound to the photocycloaddition side. These results support the view that compound 3 behaves like a mechanochemical ''syringe'', the action of which is controllable by light. (C) 1997 Elsevier Science Ltd.
• Perez-Adelmar, Jose-Antonio; Abraham, Herve; Szanchez, Concha, Angewandte Chemie, 1996, vol. 108, # 9, p. 1088 - 1090
  作者：Perez-Adelmar, Jose-Antonio、Abraham, Herve、Szanchez, Concha、Rissanen, Kari、Prados, Pilar、Mendoza, Javier de

  DOI：——

  日期：——