| 1313405-32-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1313405-32-1
• 化学式: C₃₂H₄₄N₄O₉
• 分子量: 628.723
• InChiKey: CWBHIIJAJASEMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.13
• 重原子数：
  45.0
• 可旋转键数：
  22.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  180.01
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 palladium 10% on activated carbon 、 氢气 作用下， 以 二氯甲烷 为溶剂， 以97.7%的产率得到octyl 3-amino-5-(2-(5-amino-2-(octyloxy)benzamido)acetamido)benzoate
  参考文献：
  名称：

  Interplay of Olefin Metathesis and Multiple Hydrogen Bonding Interactions: Covalently Cross-linked Zippers

  摘要：

  Hydrogen-bonded zippers bearing terminal alkene groups were treated with Grubbs' catalyst, leading to covalently cross-linked zippers without violating H-bonding sequence specificity. The yield of a cross-linked zipper depended on the stability of its H-bonded precursor, with a weakly associating pair giving reasonable yields only at high concentrations while strongly associating pairs showed nearly quantitative yields. The Integration of thermodynamic (H-bonding) and kinetic (irreversible C=C bond formation) processes suggests the possibility of developing many different covalent association units for constructing molecular structures based on a self-assembling way.

  DOI：

  10.1021/ol201282d
• 作为产物：
  描述：

  5-nitro-2-octyloxybenzoic acid methyl ester 在 水 、 双(2-氧代-3-恶唑烷基)次磷酰氯 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 potassium hydroxide 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 16.83h， 生成
  参考文献：
  名称：

  Interplay of Olefin Metathesis and Multiple Hydrogen Bonding Interactions: Covalently Cross-linked Zippers

  摘要：

  Hydrogen-bonded zippers bearing terminal alkene groups were treated with Grubbs' catalyst, leading to covalently cross-linked zippers without violating H-bonding sequence specificity. The yield of a cross-linked zipper depended on the stability of its H-bonded precursor, with a weakly associating pair giving reasonable yields only at high concentrations while strongly associating pairs showed nearly quantitative yields. The Integration of thermodynamic (H-bonding) and kinetic (irreversible C=C bond formation) processes suggests the possibility of developing many different covalent association units for constructing molecular structures based on a self-assembling way.

  DOI：

  10.1021/ol201282d