dibutyl ester of 1-methyl-1-N-(octylamino)-n-hexanephosphonic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: dibutyl ester of 1-methyl-1-N-(octylamino)-n-hexanephosphonic acid
• 英文别名: N-(2-dibutoxyphosphorylheptan-2-yl)octan-1-amine
• 化学式: C₂₃H₅₀NO₃P
• 分子量: 419.629
• InChiKey: LCUICSBFDCVBNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  28
• 可旋转键数：
  21
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  亚磷酸二丁酯 、 以51%的产率得到dibutyl ester of 1-methyl-1-N-(octylamino)-n-hexanephosphonic acid
  参考文献：
  名称：

  SYNTHESIS AND PHYSIOLOGICAL ACTIVITIES OF NEW ACYCLIC AMINOPHOSPHONATES

  摘要：

  The dependence of biological activity of 37 newly synthesized acyclic aminomethanephosphonic acid derivatives on their structure was studied. It was found that the phytotoxicity of the compounds studied depended on their hydrophobic parameters, and in a smaller extent on the electronic parameters of the substituents on nitrogen and phosphorus atoms. No phytotoxicity dependence on the steric parameters of compounds was found. Tested organism was Spirodela oligorrhiza and the parameter studied was the concentration of compounds causing 50 % growth inhibition (EC50) The test had preliminary character and permitted to eliminate the less promising compounds out of further studies.

  DOI：

  10.1080/10426500008076535

文献信息

• SYNTHESIS AND PHYSIOLOGICAL ACTIVITIES OF NEW ACYCLIC AMINOPHOSPHONATES
  作者：J. S. Wieczorek、R. Gancarz、K. Bielecki、E. Grzyś、J. Sarapuk

  DOI：10.1080/10426500008076535

  日期：2000.1.1

  The dependence of biological activity of 37 newly synthesized acyclic aminomethanephosphonic acid derivatives on their structure was studied. It was found that the phytotoxicity of the compounds studied depended on their hydrophobic parameters, and in a smaller extent on the electronic parameters of the substituents on nitrogen and phosphorus atoms. No phytotoxicity dependence on the steric parameters of compounds was found. Tested organism was Spirodela oligorrhiza and the parameter studied was the concentration of compounds causing 50 % growth inhibition (EC50) The test had preliminary character and permitted to eliminate the less promising compounds out of further studies.