1-N-(butylamino)-p-t-butyl-cyclohexane phosphonic acid dibutyl ester

• 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: 1-N-(butylamino)-p-t-butyl-cyclohexane phosphonic acid dibutyl ester
• 英文别名: N-butyl-4-tert-butyl-1-dibutoxyphosphorylcyclohexan-1-amine
• 化学式: C₂₂H₄₆NO₃P
• 分子量: 403.586
• InChiKey: DVHHMDIVMVNJQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  27
• 可旋转键数：
  14
• 环数：
  1.0
• 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：

  4-叔丁基环己酮 在 三氯化铝 作用下， 生成 1-N-(butylamino)-p-t-butyl-cyclohexane phosphonic acid dibutyl ester
  参考文献：
  名称：

  SYNTHESIS OF SOME NEW CYCLIC AMINOPHOSPHONATES AND THEIR PHYSIOLOGICAL ACTIVITIES

  摘要：

  The synthesis of 19 newly synthesized cyclic aminophosphonic acid derivatives was described and their biological activity studied. It was found, as in the case of the previously described series of acyclic analogues, that the phytotoxicity of the compounds, tested on aquatic plant Spirodela oligorrhiza depended mainly on their hydrophobic parameters. The most pronounced phytotoxicity, the measure of which was concentration of aminophosphonates causing 50% inhibition of plant growth (EC50), exhibited compounds with not too long hydrocarbon substituent on the nitrogen atom (8-10 carbon atoms) and branched propyl groups on the phosphorus atom. The test had preliminary character and permitted to eliminate the less promising compounds for further studies.

  DOI：

  10.1080/10426500108040237

文献信息

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

  DOI：10.1080/10426500108040237

  日期：2001.8.1

  The synthesis of 19 newly synthesized cyclic aminophosphonic acid derivatives was described and their biological activity studied. It was found, as in the case of the previously described series of acyclic analogues, that the phytotoxicity of the compounds, tested on aquatic plant Spirodela oligorrhiza depended mainly on their hydrophobic parameters. The most pronounced phytotoxicity, the measure of which was concentration of aminophosphonates causing 50% inhibition of plant growth (EC50), exhibited compounds with not too long hydrocarbon substituent on the nitrogen atom (8-10 carbon atoms) and branched propyl groups on the phosphorus atom. The test had preliminary character and permitted to eliminate the less promising compounds for further studies.