1,1',1'',1'''-((12,32,52,72-tetrapropoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-15,35,55,75-tetrayl)tetrakis(2,2,2-trimethoxy-4-methyl-1,3,2l5-dioxaphospholane-5,4-diyl))tetrakis(ethan-1-one) | 1632371-39-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,1',1'',1'''-((12,32,52,72-tetrapropoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-15,35,55,75-tetrayl)tetrakis(2,2,2-trimethoxy-4-methyl-1,3,2l5-dioxaphospholane-5,4-diyl))tetrakis(ethan-1-one)
• CAS: 1632371-39-1
• 化学式: C₇₂H₁₀₈O₂₈P₄
• 分子量: 1545.53
• InChiKey: IWJQROSFGZXDTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.53
• 重原子数：
  104.0
• 可旋转键数：
  32.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  289.8
• 氢给体数：
  0.0
• 氢受体数：
  28.0

反应信息

• 作为反应物：
  描述：

  1,1',1'',1'''-((12,32,52,72-tetrapropoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-15,35,55,75-tetrayl)tetrakis(2,2,2-trimethoxy-4-methyl-1,3,2l5-dioxaphospholane-5,4-diyl))tetrakis(ethan-1-one) 以 甲醇 为溶剂， 以190 mg的产率得到
  参考文献：
  名称：

  Design and Synthesis of a New Kind of Cavitand: Tetrapyrazolylcalix[4]arenes and Their Supramolecular Assemblies

  摘要：

  Two novel calix[4]arene-based tetrapyrazolyl cavitands with different cavity size were synthesized by multistep reactions. In the solid state, one of the cavitands forms an infinite chain by intermolecular hydrogen bonding. The other cavitand undergoes coordination self-assembly with dimetal corners to form a supramolecular cage.

  DOI：

  10.1055/s-0033-1341058
• 作为产物：
  描述：

  5,11,17,23-Tetraformyl-25,26,27,28-tetrapropoxycalix[4]arene 、 2,2,2-三甲氧基-4,5-二甲基-1,3,2-二氧环磷烯 以 二氯甲烷 为溶剂， 生成 1,1',1'',1'''-((12,32,52,72-tetrapropoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-15,35,55,75-tetrayl)tetrakis(2,2,2-trimethoxy-4-methyl-1,3,2l5-dioxaphospholane-5,4-diyl))tetrakis(ethan-1-one)
  参考文献：
  名称：

  Design and Synthesis of a New Kind of Cavitand: Tetrapyrazolylcalix[4]arenes and Their Supramolecular Assemblies

  摘要：

  Two novel calix[4]arene-based tetrapyrazolyl cavitands with different cavity size were synthesized by multistep reactions. In the solid state, one of the cavitands forms an infinite chain by intermolecular hydrogen bonding. The other cavitand undergoes coordination self-assembly with dimetal corners to form a supramolecular cage.

  DOI：

  10.1055/s-0033-1341058