1,3-calix[4]bis-azacrown | 286460-94-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-calix[4]bis-azacrown
• 英文别名: 3,6,12,15,29,32,38,41-Octaoxa-9,35-diazaheptacyclo[25.25.1.117,43.02,49.016,21.023,28.042,47]tetrapentaconta-1(52),2(49),16,18,20,23,25,27,42(47),43,45,50-dodecaene
• CAS: 286460-94-4
• 化学式: C₄₄H₅₄N₂O₈
• 分子量: 738.921
• InChiKey: CTMDONCFZGVRMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  54
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  97.9
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2,4,6-三硝基苯酚铵 、 1,3-calix[4]bis-azacrown 以 氘代氯仿 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Two novel 1,3-calix[4]azacrowns

  摘要：

  Two 1,3-calix[4]azacrowns-5 in the 1,3-alternate conformation have been constructed from calix[4]arene. They formed 1:1 endo and 1:2 endo-endo complexes with NH4+ in CDCl3. Comparison with 1,3-calix[4]-bis-crown-5 lead us to conclude a better binding by replacement of the central O atom by NH group in the crown. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00382-8
• 作为产物：
  描述：

  9,35-bis-(4-methylphenyl)sulfonyl-3,6,12,15,29,32,38,41-octaoxa-9,35-diazaheptacyclo[25.25.1.117,43.02,49.016,21.023,28.042,47]tetrapentaconta-1(52),2(49),16,18,20,23,25,27,42(47),43,45,50-dodecaene 在 disodium hydrogenphosphate 、 sodium amalgam 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 48.0h， 以52%的产率得到1,3-calix[4]bis-azacrown
  参考文献：
  名称：

  Two novel 1,3-calix[4]azacrowns

  摘要：

  Two 1,3-calix[4]azacrowns-5 in the 1,3-alternate conformation have been constructed from calix[4]arene. They formed 1:1 endo and 1:2 endo-endo complexes with NH4+ in CDCl3. Comparison with 1,3-calix[4]-bis-crown-5 lead us to conclude a better binding by replacement of the central O atom by NH group in the crown. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00382-8

文献信息

• Novel calix[4]cryptands:<i>“Mappemonde II”</i>and<i>“Mill II”</i>
  作者：Buncha Pulpoka、Jong Sueng Kim、Seung Hwan Yang、Jacques Vicens

  DOI：10.1002/jhet.5570380621

  日期：2001.11

  Two novel calix[4]cryptands were synthesized from 1,3-alternate calix[4]bis-azacrown. “Mappemonde II” consists of one 1,3-calix[4]bis-azacrown wrapped by a benzo-crown ether loop. “Mill II” is composed of two 1,3-calix[4]bis-azacrowns linked by two benzo-crown ether strands.

  从1,3个备用杯[4] bis-azacrown合成了两个新颖的杯[4] cryptands。“ Mappemonde II”由一个1,3-calix [4] bis-azacrown包裹，并被苯并冠醚环包裹。“ Mill II”由两个1，3-calix [4] bis-azacrowns与两个苯并冠醚链连接而成。
• Chromogenic Indoaniline Armed-Calix[4]azacrowns
  作者：Jong Seung Kim、Ok Jae Shon、Seung Hwan Yang、Jong Yeol Kim、Moon Jib Kim

  DOI：10.1021/jo0201169

  日期：2002.9.1

  Two novel chromogenic 1,3-alternate calix[4]azacrown (1) and calix[4]-bis-azacrown (2) in which an indoaniline chromophore was attached on the nitrogen atom of the azacrown unit with one methylene spacer were synthesized. The H-1 NMR spectrum of the ligand 1 and Ca2+ proved that the metal ion is entrapped by the calix[4]azacrown unit and by the conjugated indoaniline system. From the UV/vis band shifts upon metal ion complexation, Zn2+ ion was found to give the largest band shifts compared to other metal cations, indicating that Zn2+ ion (K-a = 18 760 M-1 for 1 and K-a = 19 930 M-1 for 2) was selectively encapsulated by the calix[4]azacrown cavity with assistance of the pendent indoaniline sidearm.