Para-decanoylcalix(4)arene | 331815-19-1

• 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: Para-decanoylcalix(4)arene
• 英文别名: 1-[11,17,23-tris(decanoyl)-25,26,27,28-tetrahydroxy-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]decan-1-one
• CAS: 331815-19-1；910627-96-2
• 化学式: C₆₈H₉₆O₈
• 分子量: 1041.51
• InChiKey: BHHNIKVOLJXYCH-UHFFFAOYSA-N

物化性质

• 沸点：
  1078.9±65.0 °C(Predicted)
• 密度：
  1.062±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  21.3
• 重原子数：
  76
• 可旋转键数：
  36
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Para-decanoylcalix(4)arene 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 68.0h， 生成 [5,11,17,23-Tetra(dodecanoyl)-26,28-dihydroxy-27-phosphonooxy-25-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] dihydrogen phosphate
  参考文献：
  名称：

  Synthesis and properties of novel amphiphilic calix-[4]-arene derivatives

  摘要：

  A series of amphiphilic calix-[4]-arenes having four hydrophobic acyl chains (C6 C12) at the macrocyclic upper rim as well as two hydrophilic dihydroxyphosphoryloxy groups at the lower rim and analogous to the diacylphosphatidic acids lipids have been synthesised and characterised. The synthesis proceeds via regioselective 1.3 lower phosphorylation of the tetra-acyl calix-[4]-arene by diethylchlorophosphate in the presence of triethylamine. The ethyl groups are removed by consecutive treatment with trimethylbromosilane and methanol. All the new amphiphilic derivatives self-assemble at the air-water interface as stable Langmuir monolayers. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(00)02003-7
• 作为产物：
  描述：

  杯[4]芳烃 、 癸酰氯 在 三氯化铝 作用下， 以 硝基苯 为溶剂， 反应 4.0h， 生成 Para-decanoylcalix(4)arene
  参考文献：
  名称：

  Synthesis and properties of novel amphiphilic calix-[4]-arene derivatives

  摘要：

  A series of amphiphilic calix-[4]-arenes having four hydrophobic acyl chains (C6 C12) at the macrocyclic upper rim as well as two hydrophilic dihydroxyphosphoryloxy groups at the lower rim and analogous to the diacylphosphatidic acids lipids have been synthesised and characterised. The synthesis proceeds via regioselective 1.3 lower phosphorylation of the tetra-acyl calix-[4]-arene by diethylchlorophosphate in the presence of triethylamine. The ethyl groups are removed by consecutive treatment with trimethylbromosilane and methanol. All the new amphiphilic derivatives self-assemble at the air-water interface as stable Langmuir monolayers. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(00)02003-7