benzyl 3,5-bis[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]benzoate | 918945-32-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: benzyl 3,5-bis[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]benzoate
• CAS: 918945-32-1
• 化学式: C₄₈H₄₄N₄O₁₀
• 分子量: 836.898
• InChiKey: KCOOWCAZGXHAQO-MJPWBCPGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  62
• 可旋转键数：
  20
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  202
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  benzyl 3,5-bis[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]benzoate 、 溴甲苯 在 18-冠醚-6 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 24.0h， 以75%的产率得到benzyl 3,5-bis[[(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoyl]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：

  3,5-双-boc-氨基苯甲酸 在 18-冠醚-6 、 potassium carbonate 、 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 、 丙酮 为溶剂， 反应 72.0h， 生成 benzyl 3,5-bis[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]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

文献信息

• Improving the gelation properties of 3,5-diaminobenzoate-based organogelators in aromatic solvents with additional aromatic-containing pendants
  作者：Hak-Fun Chow、Jie Zhang、Chui-Man Lo、Siu-Yin Cheung、Ka-Wai Wong

  DOI：10.1016/j.tet.2006.10.066

  日期：2007.1

  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.