(4-phenylphenyl)methyl 3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]benzoate | 918945-38-7

• 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: (4-phenylphenyl)methyl 3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
• CAS: 918945-38-7
• 化学式: C₃₀H₃₄N₂O₆
• 分子量: 518.61
• InChiKey: OEVULVVISHZNAG-UHFFFAOYSA-N

物化性质

• 沸点：
  589.2±50.0 °C(Predicted)
• 密度：
  1.202±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  102.96
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (4-phenylphenyl)methyl 3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]benzoate 在 2-乙氧基-1-乙氧碳酰基-1,2-二氢喹啉 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 27.0h， 生成 (4-phenylphenyl)methyl 3,5-bis[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]benzoate
  参考文献：
  名称：

  Improving the gelation properties of 3,5-diaminobenzoate-based organogelators in aromatic solvents with additional aromatic-containing pendants

  摘要：

  A family of 3,5-diaminobenzoate derivatives containing different Cbz-protected alpha- or beta-amino side pendant chains and different aromatic-containing ester functionalities was prepared. It was found that the additional aromatic rings in the Cbz- and aromatic-containing ester moieties significantly improved the gelation properties of the resulting organogelators in aromatic solvents. Infrared and circular dichroism spectroscopy revealed that both H-bonding and pi-pi aromatic stacking interactions were the main driving forces for gelation. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.10.066
• 作为产物：
  描述：

  联苯-4-甲醇 、 3,5-双-boc-氨基苯甲酸 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以82%的产率得到(4-phenylphenyl)methyl 3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
  参考文献：
  名称：

  Improving the gelation properties of 3,5-diaminobenzoate-based organogelators in aromatic solvents with additional aromatic-containing pendants

  摘要：

  A family of 3,5-diaminobenzoate derivatives containing different Cbz-protected alpha- or beta-amino side pendant chains and different aromatic-containing ester functionalities was prepared. It was found that the additional aromatic rings in the Cbz- and aromatic-containing ester moieties significantly improved the gelation properties of the resulting organogelators in aromatic solvents. Infrared and circular dichroism spectroscopy revealed that both H-bonding and pi-pi aromatic stacking interactions were the main driving forces for gelation. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.10.066