5-[4,7,10-tris(Boc)cyclen-1-yl]-25,26,27,28-tetrapropoxycalix[4]arene | 899834-59-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-[4,7,10-tris(Boc)cyclen-1-yl]-25,26,27,28-tetrapropoxycalix[4]arene
• 英文别名: Tritert-butyl 10-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate；tritert-butyl 10-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
• CAS: 899834-59-4
• 化学式: C₆₃H₉₀N₄O₁₀
• 分子量: 1063.43
• InChiKey: CVPUHXOODLLIRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.7
• 重原子数：
  77
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  5-[4,7,10-tris(Boc)cyclen-1-yl]-25,26,27,28-tetrapropoxycalix[4]arene 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以95%的产率得到5-(cyclen-1-yl)-25,26,27,28-tetrapropoxycalix[4]arene
  参考文献：
  名称：

  Synthesis of calix[4]arene–cyclen conjugates

  摘要：

  Novel calix[4]arene derivatives constrained in the cone or 1,3-alternate conformations, bearing one or two cyclen (1,4,7,10-tetraazacyclododecane) moieties directly connected to the upper rim, have been synthesized using Buchwald-Hartwig coupling reaction. The complexation ability and hydrolytic activities of selected Zn(II) complexes of these calixarenes were studied. Although the attempts to hydrolyze activated phosphodiester bonds were unsuccessful, the NMR titration experiments revealed binding affinity for chloride, acetate, and benzoate anions in defined stoichiometry. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.03.083
• 作为产物：
  描述：

  25,26,27,28-tetrapropyloxycalix[4]arene 在 palladium diacetate N-溴代丁二酰亚胺(NBS) 、 三叔丁基膦 、 sodium t-butanolate 作用下， 以 甲苯 、 丁酮 为溶剂， 反应 18.0h， 生成 5-[4,7,10-tris(Boc)cyclen-1-yl]-25,26,27,28-tetrapropoxycalix[4]arene
  参考文献：
  名称：

  Synthesis of calix[4]arene–cyclen conjugates

  摘要：

  Novel calix[4]arene derivatives constrained in the cone or 1,3-alternate conformations, bearing one or two cyclen (1,4,7,10-tetraazacyclododecane) moieties directly connected to the upper rim, have been synthesized using Buchwald-Hartwig coupling reaction. The complexation ability and hydrolytic activities of selected Zn(II) complexes of these calixarenes were studied. Although the attempts to hydrolyze activated phosphodiester bonds were unsuccessful, the NMR titration experiments revealed binding affinity for chloride, acetate, and benzoate anions in defined stoichiometry. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.03.083

文献信息

• Synthesis of calix[4]arene–cyclen conjugates
  作者：Václav Stastny、Pavel Lhoták、Ivan Stibor、Burkhard König

  DOI：10.1016/j.tet.2006.03.083

  日期：2006.6

  Novel calix[4]arene derivatives constrained in the cone or 1,3-alternate conformations, bearing one or two cyclen (1,4,7,10-tetraazacyclododecane) moieties directly connected to the upper rim, have been synthesized using Buchwald-Hartwig coupling reaction. The complexation ability and hydrolytic activities of selected Zn(II) complexes of these calixarenes were studied. Although the attempts to hydrolyze activated phosphodiester bonds were unsuccessful, the NMR titration experiments revealed binding affinity for chloride, acetate, and benzoate anions in defined stoichiometry. (c) 2006 Elsevier Ltd. All rights reserved.