O,O-dipentyl 1-(benzylamino)cyclohexylphosphonate | 31003-03-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: O,O-dipentyl 1-(benzylamino)cyclohexylphosphonate
• 英文别名: N-benzyl-1-dipentoxyphosphorylcyclohexan-1-amine
• CAS: 31003-03-9
• 化学式: C₂₃H₄₀NO₃P
• 分子量: 409.549
• InChiKey: GMVDYEHJUXLIBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  28
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 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：

  N-benzylcyclohexylimine 、 phosphonic acid dipentyl ester 生成 O,O-dipentyl 1-(benzylamino)cyclohexylphosphonate
  参考文献：
  名称：

  DE2022228

  摘要：

  公开号：

文献信息

• Mebbrane extraction of organic compounds
  作者：I. S. Antipin、I. I. Stoikov、S. A. Repeikov、A. I. Konovalov

  DOI：10.1007/bf02495688

  日期：1998.9

  New lipophilic a-aminophosphonates containing cyclic or acyclic alkyl substituents at the carbon atom in the a position were synthesized by the Kabachnik-Fields reaction. Studies of the obtained compounds as carriers for transport of glycolic acid through polymer-supported liquid membranes demonstrated that the flux of glycolic acid through the membrane depends on the lipophilicity and the presence of substituents at the a-C atom of aminophosphonate. The structures of a number of alpha-aminophosphonate-glycolic acid complexes were calculated by the semiempirical PM3 method.
• α-Aminophosphonates: Effective Carriers for the Membrane Transport of Biorelevant Species
  作者：Igor S. Antipin、Ivan I. Stoikov、Alexander I. Konovalov

  DOI：10.1080/10426509908546252

  日期：1999.1.1

  The novel lipophilic a-aminophosphonates were synthesized by the Kabachnik-Fields reaction. These compounds exhibited remarkable selectivity as carriers fbr the membrane transport of the biorelevant species such as alpha-amino and alpha-hydroxy acids.