5,11-diamino-17,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrapropoxycalix[4]arene | 180523-84-6

• 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-bis(1,1-dimethylethyl)-25,26,27,28-tetrapropoxycalix[4]arene
• 英文别名: 17,23-Ditert-butyl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-5,11-diamine
• CAS: 180523-84-6
• 化学式: C₄₈H₆₆N₂O₄
• 分子量: 735.063
• InChiKey: CPXQLFYQSUMTBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.1
• 重原子数：
  54
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  89
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,8-萘二甲酸酐 、 5,11-diamino-17,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrapropoxycalix[4]arene 在 zinc diacetate 作用下， 以 喹啉 为溶剂， 以51%的产率得到
  参考文献：
  名称：

  杯[4]芳烃官能化的萘和per酰亚胺染料。

  摘要：

  [反应：见正文]合成了在宽边缘带有一个，两个或四个1,8-萘酰亚胺基团的杯[4]芳烃和通过per-双酰亚胺染料间隔基连接的双杯[4]芳烃。四萘甲酰亚胺的低温NMR光谱表明，与晶体结构一致，通过相对的萘甲酰亚胺基团之间的面对面pi-pi相互作用可稳定C2对称的收缩锥构象。对per双杯[4]芳烃染料进行了紫外可见和荧光研究。

  DOI：

  10.1021/ol026402o
• 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 作用下， 以 甲醇 为溶剂， 以97%的产率得到5,11-diamino-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

• Calix[4]arene-Functionalized Naphthalene and Perylene Imide Dyes
  作者：Myroslav O. Vysotsky、Volker Böhmer、Frank Würthner、Chang-Cheng You、Kari Rissanen

  DOI：10.1021/ol026402o

  日期：2002.8.1

  [reaction: see text] Calix[4]arenes bearing one, two, or four 1,8-naphthyl imide groups at the wide rim and bis-calix[4]arenes connected via perylene-bisimide dye spacers have been synthesized. The low-temperature NMR spectrum of the tetranaphthylimide suggests, in agreement with a crystal structure, a C2-symmetrical pinched cone conformation stabilized via face-to-face pi-pi interactions between opposite

  [反应：见正文]合成了在宽边缘带有一个，两个或四个1,8-萘酰亚胺基团的杯[4]芳烃和通过per-双酰亚胺染料间隔基连接的双杯[4]芳烃。四萘甲酰亚胺的低温NMR光谱表明，与晶体结构一致，通过相对的萘甲酰亚胺基团之间的面对面pi-pi相互作用可稳定C2对称的收缩锥构象。对per双杯[4]芳烃染料进行了紫外可见和荧光研究。
• 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.