1,4,12,15-tetrakis-hydroxymethyl-6,7,9,10,17,18,20,21-octahydro-5,8,11,16,19,22-hexaoxadibenzo[a,j]cyclooctadecene | 478704-70-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4,12,15-tetrakis-hydroxymethyl-6,7,9,10,17,18,20,21-octahydro-5,8,11,16,19,22-hexaoxadibenzo[a,j]cyclooctadecene
• 英文别名: 3,3'-6,6'-tetrakis[hydroxymethyl]dibenzo-18-crown-6
• CAS: 478704-70-0
• 化学式: C₂₄H₃₂O₁₀
• 分子量: 480.512
• InChiKey: SEQHDAZMFCMTCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  136.3
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  1,4,12,15-tetrakis-hydroxymethyl-6,7,9,10,17,18,20,21-octahydro-5,8,11,16,19,22-hexaoxadibenzo[a,j]cyclooctadecene 在 三溴化磷 、 硫脲 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 20.0h， 生成 1,4,12,15-tetrakis-mercaptomethyl-6,7,9,10,17,18,20,21-octahydro-5,8,11,16,19,22-hexaoxadibenzo[a,j]cyclooctadecene
  参考文献：
  名称：

  A Unique Spherical Molecular Host with D_2d Symmetry. A Novel Intramolecular Kinetic Equilibrium in Metal Ion Complexation between Two Crown Ethers

  摘要：

  [GRAPHICS]A spherical host with D-2d symmetry consisting of a tetrathia[3.3.3.3]paracyclophane and two 18-crown-6 moieties was synthesized. Its crystal structure shows a central cavity with a diameter of 1.96 Angstrom and a depth of 6.75 Angstrom. A Na+ ion could rest in the cavity center but prefers core binding to external binding in one of the crown units. An intramolecular kinetic equilibrium was reached with the Na+ ion switching between the two crown units with an energy barrier of 14.1 +/- 3 kcal/mol.

  DOI：

  10.1021/ol026780t
• 作为产物：
  描述：

  3,6-二(吗啉基甲基)邻苯二酚 在 氢氧化钾 、 sodium hydroxide 、 sodium acetate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 96.0h， 生成 1,4,12,15-tetrakis-hydroxymethyl-6,7,9,10,17,18,20,21-octahydro-5,8,11,16,19,22-hexaoxadibenzo[a,j]cyclooctadecene
  参考文献：
  名称：

  A Unique Spherical Molecular Host with D_2d Symmetry. A Novel Intramolecular Kinetic Equilibrium in Metal Ion Complexation between Two Crown Ethers

  摘要：

  [GRAPHICS]A spherical host with D-2d symmetry consisting of a tetrathia[3.3.3.3]paracyclophane and two 18-crown-6 moieties was synthesized. Its crystal structure shows a central cavity with a diameter of 1.96 Angstrom and a depth of 6.75 Angstrom. A Na+ ion could rest in the cavity center but prefers core binding to external binding in one of the crown units. An intramolecular kinetic equilibrium was reached with the Na+ ion switching between the two crown units with an energy barrier of 14.1 +/- 3 kcal/mol.

  DOI：

  10.1021/ol026780t

文献信息

• A reproducible mechano-responsive luminescent system based on a discotic crown ether derivative doped with fluorophores: taking advantage of the phase transition of a matrix
  作者：Ben Zhang、Chih-Hao Hsu、Zhen-Qiang Yu、Shuang Yang、Er-Qiang Chen

  DOI：10.1039/c3cc44083d

  日期：——

  A reproducible mechano-responsive luminescent system based on a discotic crown ether derivative (1) doped with a small amount of fluorophore has been prepared. The emission intensity was enhanced when the material was subjected to mechanical shear with localized response.

  一种基于掺杂少量荧光剂的圆盘状冠醚衍生物的可重复机械响应发光系统已经制备完成。当材料受到局部响应的机械剪切时，发光强度会增强。