benzyl 3,5-di(4-cyclohexylbenzoyloxy)benzoate | 1354976-22-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: benzyl 3,5-di(4-cyclohexylbenzoyloxy)benzoate
• CAS: 1354976-22-9
• 化学式: C₄₀H₄₀O₆
• 分子量: 616.754
• InChiKey: FLQSPUVLNVBBCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.58
• 重原子数：
  46.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  78.9
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  benzyl 3,5-di(4-cyclohexylbenzoyloxy)benzoate 在 5%-palladium/activated carbon 、 氢气 作用下， 以 1,4-二氧六环 为溶剂， 40.0 ℃ 、1.01 MPa 条件下， 以70.1%的产率得到3,5-di(4-cyclohexylbenzoyloxy)benzoic acid
  参考文献：
  名称：

  Synthesis and phase behavior of branched esters derived from cyclohexylbenzoic acid

  摘要：

  A branched aldehyde on the basis of cyclohexylbenzoates and 3,5-dihydroxybenzoates was synthesized. For the characteristic of intermediates and the target substance TLC, elemental analysis, IR, NMR spectroscopy, and differential scanning calorimetry were used. It was found that at the increase in length and branching degree of aldehyde the final product acquires the tendency to transfer to the glassy state.

  DOI：

  10.1134/s1070363211110119
• 作为产物：
  描述：

  对环己基苯甲酸 、 benzyl 3,5-dihydroxybenzoate 在 N,N'-二环己基碳二亚胺 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 12.5h， 以30.88%的产率得到benzyl 3,5-di(4-cyclohexylbenzoyloxy)benzoate
  参考文献：
  名称：

  Synthesis and phase behavior of branched esters derived from cyclohexylbenzoic acid

  摘要：

  A branched aldehyde on the basis of cyclohexylbenzoates and 3,5-dihydroxybenzoates was synthesized. For the characteristic of intermediates and the target substance TLC, elemental analysis, IR, NMR spectroscopy, and differential scanning calorimetry were used. It was found that at the increase in length and branching degree of aldehyde the final product acquires the tendency to transfer to the glassy state.

  DOI：

  10.1134/s1070363211110119