Methyl 3-[11-[10-[3-methoxycarbonyl-5-(11-oxo-11-phenylmethoxyundecoxy)phenoxy]decylamino]-11-oxoundecoxy]-5-[10-[(2-methylpropan-2-yl)oxycarbonylamino]decoxy]benzoate | 221898-48-2

• 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: Methyl 3-[11-[10-[3-methoxycarbonyl-5-(11-oxo-11-phenylmethoxyundecoxy)phenoxy]decylamino]-11-oxoundecoxy]-5-[10-[(2-methylpropan-2-yl)oxycarbonylamino]decoxy]benzoate
• CAS: 221898-48-2
• 化学式: C₇₀H₁₁₀N₂O₁₃
• 分子量: 1187.65
• InChiKey: KBPUSXIYYNDOQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.2
• 重原子数：
  85
• 可旋转键数：
  57
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  183
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  Methyl 3-[11-[10-[3-methoxycarbonyl-5-(11-oxo-11-phenylmethoxyundecoxy)phenoxy]decylamino]-11-oxoundecoxy]-5-[10-[(2-methylpropan-2-yl)oxycarbonylamino]decoxy]benzoate 在 palladium on activated charcoal 氢气 作用下， 25.0 ℃ 、133.32 Pa 条件下， 反应 4.0h， 以89%的产率得到11-[3-Methoxycarbonyl-5-[10-[11-[3-methoxycarbonyl-5-[10-[(2-methylpropan-2-yl)oxycarbonylamino]decoxy]phenoxy]undecanoylamino]decoxy]phenoxy]undecanoic acid
  参考文献：
  名称：

  Toward folding control in oligomers and polymers

  摘要：

  A facile synthetic route affording polycondensable monomers containing alkyl chains connected to a rigid aromatic core allowing chain folding was developed. The stepwise condensation of the monomer was shown to afford dimer, tetramer and was further proved to be applicable to higher oligomers. Such oligomers composed of "tinker toy" building blocks may be of interest for inducing controlled conformations in nanostructured materials. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00063-5
• 作为产物：
  描述：

  3-(苄氧基)-5-羟基苯甲酸甲酯 在 palladium on activated charcoal 盐酸 、 4-二甲氨基吡啶 、 四丁基溴化铵 、 氢气 、 碳酸氢钠 、 potassium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 Methyl 3-[11-[10-[3-methoxycarbonyl-5-(11-oxo-11-phenylmethoxyundecoxy)phenoxy]decylamino]-11-oxoundecoxy]-5-[10-[(2-methylpropan-2-yl)oxycarbonylamino]decoxy]benzoate
  参考文献：
  名称：

  Toward folding control in oligomers and polymers

  摘要：

  A facile synthetic route affording polycondensable monomers containing alkyl chains connected to a rigid aromatic core allowing chain folding was developed. The stepwise condensation of the monomer was shown to afford dimer, tetramer and was further proved to be applicable to higher oligomers. Such oligomers composed of "tinker toy" building blocks may be of interest for inducing controlled conformations in nanostructured materials. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00063-5