1-Hexyl-3-[[7-[(hexylcarbamoylamino)carbamoyl]-3,6-dioctoxynaphthalene-2-carbonyl]amino]urea | 1396804-73-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-Hexyl-3-[[7-[(hexylcarbamoylamino)carbamoyl]-3,6-dioctoxynaphthalene-2-carbonyl]amino]urea
• 英文别名: 1-hexyl-3-[[7-[(hexylcarbamoylamino)carbamoyl]-3,6-dioctoxynaphthalene-2-carbonyl]amino]urea
• CAS: 1396804-73-1
• 化学式: C₄₂H₇₀N₆O₆
• 分子量: 755.054
• InChiKey: FZPVCGFMVRBQGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  54
• 可旋转键数：
  28
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  159
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,6-二羟基-2,7-二羧基萘 在 硫酸 、 一水合肼 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 63.0h， 生成 1-Hexyl-3-[[7-[(hexylcarbamoylamino)carbamoyl]-3,6-dioctoxynaphthalene-2-carbonyl]amino]urea
  参考文献：
  名称：

  Amidourea-Based Hydrogen-Bonded Heteroduplexes: Structure and Assembling Selectivity

  摘要：

  A new class of multiply hydrogen-bonded heteroduplexes from readily available amidourea derivatives was designed, and their structures and selective assembling behaviors were investigated. Amidourea derivative 3 could selectively assemble with 1 to form a stable heteroduplex via eight intermolecular bifurcated hydrogen bonds, but could not assemble with 2 at all, because of their unique structures and the spacing effect, although 1 and 2 possessed the same hydrogen-bonding sequence. The high stability and selectivity will make the amidourea-based hydrogen-bonded heteroduplexes be potentially applicable in the design of well-defined supramolecular architectures and novel functional materials.

  DOI：

  10.1021/jo301434a

文献信息

• Amidourea-Based Hydrogen-Bonded Heteroduplexes: Structure and Assembling Selectivity
  作者：Wei-Jun Chu、Jianming Chen、Chuan-Feng Chen、Yong Yang、Zhigang Shuai

  DOI：10.1021/jo301434a

  日期：2012.9.21

  A new class of multiply hydrogen-bonded heteroduplexes from readily available amidourea derivatives was designed, and their structures and selective assembling behaviors were investigated. Amidourea derivative 3 could selectively assemble with 1 to form a stable heteroduplex via eight intermolecular bifurcated hydrogen bonds, but could not assemble with 2 at all, because of their unique structures and the spacing effect, although 1 and 2 possessed the same hydrogen-bonding sequence. The high stability and selectivity will make the amidourea-based hydrogen-bonded heteroduplexes be potentially applicable in the design of well-defined supramolecular architectures and novel functional materials.