5,11-bis(2-chloroacetamido)-17,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrapropoxycalix[4]arene | 180523-85-7

• 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-bis(2-chloroacetamido)-17,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrapropoxycalix[4]arene
• 英文别名: 2-chloro-N-[11,17-ditert-butyl-23-[(2-chloroacetyl)amino]-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]acetamide
• CAS: 180523-85-7
• 化学式: C₅₂H₆₈Cl₂N₂O₆
• 分子量: 888.028
• InChiKey: KPEHQSDXZHLZFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  62
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  95.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  C-undecylcavitandtetrol 、 5,11-bis(2-chloroacetamido)-17,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrapropoxycalix[4]arene 在 caesium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 46.0h， 以36%的产率得到
  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：

  5,11-Bis(1,1-dimethylethyl)-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 0.25h， 生成 5,11-bis(2-chloroacetamido)-17,23-bis(1,1-dimethylethyl)-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

文献信息

• 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.