5,11-diamino-17,23-dinitro-25,26,27,28-tetrapropoxycalix<4>arene | 156080-39-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11-diamino-17,23-dinitro-25,26,27,28-tetrapropoxycalix<4>arene
• 英文别名: 17,23-Dinitro-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,11-diamine
• CAS: 156080-39-6
• 化学式: C₄₀H₄₈N₄O₈
• 分子量: 712.843
• InChiKey: SYMBQIPJCZLVDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  52
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  181
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  5,11-diamino-17,23-dinitro-25,26,27,28-tetrapropoxycalix<4>arene 在 镍 一水合肼 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 5,11-diacetamido-17,23-bis(2-chloroacetamido)-25,26,27,28-tetrapropoxycalix[4]arene
  参考文献：
  名称：

  Combination of Calix[4]arenes and Resorcin[4]arenes for the Complexation of Steroids

  摘要：

  Receptor molecules with large cavities synthesized by the combination of building blocks that already possess a cavity, viz. calix[4]arenes and resorcin[4]arenes, are described. These receptor molecules are synthesized by reaction of one or two upper rim 1,2-difunctionalized calix[4]arene fragments oriented either endo or exo toward a cavitand unit. The endo:exo ratio depends on the substituents at the 3- and 4-positions of the calix[4]arenes. These novel receptor molecules complex steroids with association constants of (0.9-9.5) x 10(2) M(-1) in CDCl3.

  DOI：

  10.1021/jo960256g
• 作为产物：
  描述：

  cone-5,11-dinitro-25,26,27,28-tetrapropoxycalix[4]arene 在 copper(I) oxide 、 盐酸 、 碘 、 silver trifluoroacetate 、 一水合肼 作用下， 以 various solvent(s) 为溶剂， 反应 27.0h， 生成 5,11-diamino-17,23-dinitro-25,26,27,28-tetrapropoxycalix<4>arene
  参考文献：
  名称：

  Novel Routes for the Synthesis of Upper Rim Amino and Methoxycarbonyl Functionalized Calix[4]arenes Carrying Other Types of Functional Groups

  摘要：

  描述了在其他官能团存在的情况下，通过在上缘进行碘化选择性功能化的 calix[4]arene 1。所得的（部分）碘化 calix[4]arene 2 是制备相应的羧酸酯和氨基衍生物 3 和 6 的良好起始材料。

  DOI：

  10.1055/s-1994-25435

文献信息

• Timmerman, Peter; Nierop, Klaas G. A.; Brinks, Erik A., Chemistry - A European Journal, 1995, vol. 1, # 2, p. 132 - 143
  作者：Timmerman, Peter、Nierop, Klaas G. A.、Brinks, Erik A.、Verboom, Willem、Veggel, Frank C. J. M. van、et al.

  DOI：——

  日期：——
• Novel Routes for the Synthesis of Upper Rim Amino and Methoxycarbonyl Functionalized Calix[4]arenes Carrying Other Types of Functional Groups
  作者：Peter Timmerman、Willem Verboom、David N. Reinhoudt、Arturo Arduini、Stefania Grandi、Anna R. Sicuri、Andrea Pochini、Rocco Ungaro

  DOI：10.1055/s-1994-25435

  日期：——

  The selective functionalization of calix[4]arenes 1 by iodination at the upper rim in the presence of other functionalities is described. The resulting (partly) iodinated calix[4]arenes 2 are good starting materials for the preparation of both the corresponding carboxylic ester and amino derivatives 3 and 6, respectively.

  描述了在其他官能团存在的情况下，通过在上缘进行碘化选择性功能化的 calix[4]arene 1。所得的（部分）碘化 calix[4]arene 2 是制备相应的羧酸酯和氨基衍生物 3 和 6 的良好起始材料。
• Combination of Calix[4]arenes and Resorcin[4]arenes for the Complexation of Steroids
  作者：Irene Higler、Peter Timmerman、Willem Verboom、David N. Reinhoudt

  DOI：10.1021/jo960256g

  日期：1996.1.1

  Receptor molecules with large cavities synthesized by the combination of building blocks that already possess a cavity, viz. calix[4]arenes and resorcin[4]arenes, are described. These receptor molecules are synthesized by reaction of one or two upper rim 1,2-difunctionalized calix[4]arene fragments oriented either endo or exo toward a cavitand unit. The endo:exo ratio depends on the substituents at the 3- and 4-positions of the calix[4]arenes. These novel receptor molecules complex steroids with association constants of (0.9-9.5) x 10(2) M(-1) in CDCl3.