25,27-bis(dimethylaminocarbonylmethoxy)-26-methoxy-28-phenylmethoxycalix[4]arene | 392334-66-6

• 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(dimethylaminocarbonylmethoxy)-26-methoxy-28-phenylmethoxycalix[4]arene
• CAS: 392334-66-6
• 化学式: C₄₄H₄₆N₂O₆
• 分子量: 698.859
• InChiKey: DABFEACWZUQDKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.88
• 重原子数：
  52.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  77.54
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  25,27-bis(dimethylaminocarbonylmethoxy)-26-methoxy-28-phenylmethoxycalix[4]arene 在 5percent Pd/C 盐酸 、 氢气 、 sodium nitrite 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 反应 1.0h， 生成 25,27-bis(dimethylaminocarbonylmethoxy)-26-hydroxy-28-methoxy-11-p-nitrophenyldiazacalix[4]arene
  参考文献：
  名称：

  Highly Selective Optical-Sensing Membranes, Containing Calix[4]arene Chromoionophores, for Pb2+ Ions

  摘要：

  Plasticized poly(vinyl chloride) (PVC) optode membranes containing novel calix[4]arene chromoionophores 1 or 2 and one equivalent of a lipophilic anion respond to Pb2+ ions with high selectivity over alkali, alkaline-earth, and other heavy metal ions. This selectivity stems from the combination of ligand specificity and a unique ion exchange scheme that employs both monovalent metal ions and protons as the exchanged ions. Complexation of Pb2+ ions inside the membrane is accompanied by deprotonation of the chromoionophores, which causes a bathochromic shift of the absorption maximum lambda(max). The response to Pb2+ ions is modulated by pH and alkali metal ions in a fashion that is consistent with the proposed ion-exchange mechanism. Of all of the other metal ions tested, only Cs+ and Ag+ produce a color change. However, these monovalent metal ions cause hypsochromic shifts of lambda(max) instead of the bathochromic shift caused by Pb2+, because the chromoionophores remain protonated upon complexation.

  DOI：

  10.1002/1521-3765(20011119)7:22<4878::aid-chem4878>3.0.co;2-8
• 作为产物：
  描述：

  28-Methoxypentacyclo<19.3.1.1^3,7.1^9,13.1^15,19>octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-25,26,27-triol 在 sodium hydride 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 生成 25,27-bis(dimethylaminocarbonylmethoxy)-26-methoxy-28-phenylmethoxycalix[4]arene
  参考文献：
  名称：

  Highly Selective Optical-Sensing Membranes, Containing Calix[4]arene Chromoionophores, for Pb2+ Ions

  摘要：

  Plasticized poly(vinyl chloride) (PVC) optode membranes containing novel calix[4]arene chromoionophores 1 or 2 and one equivalent of a lipophilic anion respond to Pb2+ ions with high selectivity over alkali, alkaline-earth, and other heavy metal ions. This selectivity stems from the combination of ligand specificity and a unique ion exchange scheme that employs both monovalent metal ions and protons as the exchanged ions. Complexation of Pb2+ ions inside the membrane is accompanied by deprotonation of the chromoionophores, which causes a bathochromic shift of the absorption maximum lambda(max). The response to Pb2+ ions is modulated by pH and alkali metal ions in a fashion that is consistent with the proposed ion-exchange mechanism. Of all of the other metal ions tested, only Cs+ and Ag+ produce a color change. However, these monovalent metal ions cause hypsochromic shifts of lambda(max) instead of the bathochromic shift caused by Pb2+, because the chromoionophores remain protonated upon complexation.

  DOI：

  10.1002/1521-3765(20011119)7:22<4878::aid-chem4878>3.0.co;2-8