Octyl 3-[[2-[[2-octoxy-5-(undec-10-enoylamino)benzoyl]amino]acetyl]amino]-5-(undec-10-enoylamino)benzoate | 1313405-34-3

• 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: Octyl 3-[[2-[[2-octoxy-5-(undec-10-enoylamino)benzoyl]amino]acetyl]amino]-5-(undec-10-enoylamino)benzoate
• 英文别名: octyl 3-[[2-[[2-octoxy-5-(undec-10-enoylamino)benzoyl]amino]acetyl]amino]-5-(undec-10-enoylamino)benzoate
• CAS: 1313405-34-3
• 化学式: C₅₄H₈₄N₄O₇
• 分子量: 901.284
• InChiKey: DDAYTPCDCSHWHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.3
• 重原子数：
  65
• 可旋转键数：
  41
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  152
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Octyl 3-[[2-[[2-octoxy-5-(undec-10-enoylamino)benzoyl]amino]acetyl]amino]-5-(undec-10-enoylamino)benzoate 、 4,6-dioctoxy-3-N-[2-[4-octoxy-3-(undec-10-enylcarbamoyl)anilino]-2-oxoethyl]-1-N-undec-10-enylbenzene-1,3-dicarboxamide 在 Grubbs catalyst first generation 作用下， 以 二氯甲烷 为溶剂， 以97%的产率得到
  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-octyloxybenzoylamino)acetic acid 在 palladium 10% on activated carbon 、 氢气 、 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 作用下， 以 二氯甲烷 为溶剂， 反应 24.83h， 生成 Octyl 3-[[2-[[2-octoxy-5-(undec-10-enoylamino)benzoyl]amino]acetyl]amino]-5-(undec-10-enoylamino)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

文献信息

• Interplay of Olefin Metathesis and Multiple Hydrogen Bonding Interactions: Covalently Cross-linked Zippers
  作者：Jisen Zeng、Wei Wang、Pengchi Deng、Wen Feng、Jingjing Zhou、Yuanyou Yang、Lihua Yuan、Kazuhiro Yamato、Bing Gong

  DOI：10.1021/ol201282d

  日期：2011.8.5

  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.