12,32,52,72-tetraisopropoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-15,55-diamine | 197234-25-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 12,32,52,72-tetraisopropoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-15,55-diamine
• CAS: 197234-25-6
• 化学式: C₄₀H₅₀N₂O₄
• 分子量: 622.848
• InChiKey: SWNMGYYCUWDPRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.68
• 重原子数：
  46.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  88.96
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  12,32,52,72-tetraisopropoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-15,55-diamine 在 三乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Anion recognition by calix[4]arene-based p-nitrophenyl amides

  摘要：

  Calix[4]arene derivatives immobilised in the cone conformation and bearing p-nitrophenyl moieties appended to the upper rim via the amide functions have been synthesised and applied as anion receptors. The H-1 NMR and UV/Vis complexation studies towards selected anions proved that the complexation ability depends considerably on the substitution pattern of the calixarene core. Thus, the proximal diamide derivative has a complexation constant for H2PO4- by one order of magnitude higher than the distal analogue.(C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.11.127
• 作为产物：
  描述：

  25,26,27,28-tetrapropoxycalix[4]arene 在 sodium nitrate 、 tin(II) chloride dihdyrate 、 溶剂黄146 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 16.5h， 生成 12,32,52,72-tetraisopropoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-15,55-diamine
  参考文献：
  名称：

  Anion complexation by calix[4]arene–TTF conjugates

  摘要：

  Calix[4]arenes bearing tetrathiafulvalene (TTF) moieties appended to the upper rim via the amidic functions were synthesized and used for H-1 NMR and UV/Vis complexation studies towards selected anions. It was found that the complexation affinity towards H2PO4- dramatically depends on the substitution pattern of the calixarene moiety. As a result, the proximally disubstituted derivative has a complexation constant by two orders of magnitude higher than the distally disubstituted analogue. The differences between proximal and distal receptors were also documented by their behaviour during the oxidation of the attached TTF units. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.06.001