| 1357845-49-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1357845-49-8
• 化学式: C₁₆H₃₁N₃O₄
• 分子量: 329.44
• InChiKey: FLUIWKGTFFMTDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.05
• 重原子数：
  23.0
• 可旋转键数：
  16.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  67.63
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  己基叠氮化物 、 3-[2-[2-(2-甲氧基乙氧基)乙氧基]乙氧基]丙-1-炔 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 以73%的产率得到
  参考文献：
  名称：

  A structure–function study of the surface tension changes of m-xylene in the presence of fluorous 1H-1,2,3-triazoles and tetrazoles

  摘要：

  A study of surface tension measurements in m-xylene has shown that new hybrid 1H-1,2,3-triazoles and tetrazoles bearing perfluoroalkylethyl and -methyl substituents in combination with n-alkyl (lipophilic), n-alkoxymethyl (mildly hydrophilic), or methoxy(triethylenoxy)methyl (hydrophilic) substituents do have considerable surfactant properties. The properties of those with lipophilic substituents, especially those with alkyl chains of 8 carbons (or possibly more) border on erratic, while those with mildly hydrophilic or hydrophilic substituents exhibit highly predictable behaviour that is consistent with current understanding of surfactants. The change from two methylene spacer groups (perfluoroalkylethyl) to one methylene spacer group (perfluoroalkylmethyl) [equal to increasing the fluorine content], and the change from triazole to tetrazole nucleus, impart very significant increases on surface activity, whereas increases in the chain length of n-alkyl or perfluoroalkyl substituents have incremental effects. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.07.030