methyl 5-[5-(2,4-dimethoxy-benzylamino)-2,4-diisobutoxy-benzoylamino]-2,4-dimethoxybenzoate | 915184-69-9

• 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 5-[5-(2,4-dimethoxy-benzylamino)-2,4-diisobutoxy-benzoylamino]-2,4-dimethoxybenzoate
• 英文别名: Methyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-2,4-bis(2-methylpropoxy)benzoyl]amino]-2,4-dimethoxybenzoate；methyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-2,4-bis(2-methylpropoxy)benzoyl]amino]-2,4-dimethoxybenzoate
• CAS: 915184-69-9
• 化学式: C₃₄H₄₄N₂O₉
• 分子量: 624.731
• InChiKey: VKPFYIUFUIBWTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  45
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4,6-Diisobutoxy-isophthaloyl dichloride 、 methyl 5-[5-(2,4-dimethoxy-benzylamino)-2,4-diisobutoxy-benzoylamino]-2,4-dimethoxybenzoate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以250 mg的产率得到N-(2,4-dimethoxy-5-methoxycarbonylphenyl)-5-[[5-[[5-[N-(2,4-dimethoxy-5-methoxycarbonylphenyl)-C-hydroxycarbonimidoyl]-2,4-bis(2-methylpropoxy)phenyl]-[(2,4-dimethoxyphenyl)methyl]carbamoyl]-2,4-bis(2-methylpropoxy)benzoyl]-[(2,4-dimethoxyphenyl)methyl]amino]-2,4-bis(2-methylpropoxy)benzenecarboximidic acid
  参考文献：
  名称：

  Improving Foldamer Synthesis through Protecting Group Induced Unfolding of Aromatic Oligoamides

  摘要：

  The hydrogen bond rigidified backbones of aromatic oligoamides are temporarily interrupted by replacing the amide hydrogens with the acid-labile 2,4-dimethoxybenzyl (DMB) group, which allows the efficient preparation of long folding oligomers that, upon removal of the DMB groups, fold into multiturn helices.

  DOI：

  10.1021/ol062103d
• 作为产物：
  描述：

  5-氨基-2，4-二甲氧基苯甲酸甲酯 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 氯仿 为溶剂， 20.0 ℃ 、2.67 kPa 条件下， 反应 12.0h， 生成 methyl 5-[5-(2,4-dimethoxy-benzylamino)-2,4-diisobutoxy-benzoylamino]-2,4-dimethoxybenzoate
  参考文献：
  名称：

  Improving Foldamer Synthesis through Protecting Group Induced Unfolding of Aromatic Oligoamides

  摘要：

  The hydrogen bond rigidified backbones of aromatic oligoamides are temporarily interrupted by replacing the amide hydrogens with the acid-labile 2,4-dimethoxybenzyl (DMB) group, which allows the efficient preparation of long folding oligomers that, upon removal of the DMB groups, fold into multiturn helices.

  DOI：

  10.1021/ol062103d

文献信息

• Improving Foldamer Synthesis through Protecting Group Induced Unfolding of Aromatic Oligoamides
  作者：Aimin Zhang、Joseph S. Ferguson、Kazuhiro Yamato、Chong Zheng、Bing Gong

  DOI：10.1021/ol062103d

  日期：2006.10.1

  The hydrogen bond rigidified backbones of aromatic oligoamides are temporarily interrupted by replacing the amide hydrogens with the acid-labile 2,4-dimethoxybenzyl (DMB) group, which allows the efficient preparation of long folding oligomers that, upon removal of the DMB groups, fold into multiturn helices.