11,17,23-tri-t-butyl-5-nitro-25,26,27,28-tetrakis(ethoxycarbonylmethoxy)calix[4]arene | 212835-05-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 11,17,23-tri-t-butyl-5-nitro-25,26,27,28-tetrakis(ethoxycarbonylmethoxy)calix[4]arene
• 英文别名: ethyl 2-[[5,11,23-tritert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-17-nitro-25-pentacyclo[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-dodecaenyl]oxy]acetate
• CAS: 212835-05-7
• 化学式: C₅₆H₇₁NO₁₄
• 分子量: 982.178
• InChiKey: FZZNDNKBEYWMDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.93
• 重原子数：
  71.0
• 可旋转键数：
  17.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  185.26
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  11,17,23-tri-t-butyl-5-nitro-25,26,27,28-tetrakis(ethoxycarbonylmethoxy)calix[4]arene 在 镍 氢气 作用下， 以 甲苯 为溶剂， 以94%的产率得到5-amino-11,17,23-tri-t-butyl-25,26,27,28-tetrakis(ethoxycarbonylmethoxy)calix[4]arene
  参考文献：
  名称：

  Covalently linked multi-calixarenes

  摘要：

  ipso-Nitration of t-butyl calix[4]arene tetraethers and subsequent hydrogenation provides an easy access to monoamino calix[4]arenes. Reaction with di- and triacid chlorides leads to various double- and triple-calix[4]arenes. With tetra-acid chlorides derived from calix[4]arenes in the cone- or 1,3-alternate-conformations penta-calix[4]arenes are available as molecularly uniform species, which may be regarded as the first generation of calix[4]arene based dendrimers. The structure of the mononitro tetraester derivative, which may serve as a general building block has been confirmed by single crystal X-ray analysis. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00594-8
• 作为产物：
  描述：

  4-叔丁基杯[4]芳烃-四乙酸乙酯 在 硝酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以47%的产率得到11,17,23-tri-t-butyl-5-nitro-25,26,27,28-tetrakis(ethoxycarbonylmethoxy)calix[4]arene
  参考文献：
  名称：

  Covalently linked multi-calixarenes

  摘要：

  ipso-Nitration of t-butyl calix[4]arene tetraethers and subsequent hydrogenation provides an easy access to monoamino calix[4]arenes. Reaction with di- and triacid chlorides leads to various double- and triple-calix[4]arenes. With tetra-acid chlorides derived from calix[4]arenes in the cone- or 1,3-alternate-conformations penta-calix[4]arenes are available as molecularly uniform species, which may be regarded as the first generation of calix[4]arene based dendrimers. The structure of the mononitro tetraester derivative, which may serve as a general building block has been confirmed by single crystal X-ray analysis. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00594-8