4-(2-thiazolinyl)benzylphosphonate de diethyle

• 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: 4-(2-thiazolinyl)benzylphosphonate de diethyle
• 英文别名: 2-[4-(Diethoxyphosphorylmethyl)phenyl]-4,5-dihydro-1,3-thiazole
• 化学式: C₁₄H₂₀NO₃PS
• 分子量: 313.357
• InChiKey: WEICCXFPXCTSTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  73.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (4-氰基苄基)亚磷酸二乙酯 、 巯基乙胺 以 乙醇 为溶剂， 反应 5.0h， 以64%的产率得到4-(2-thiazolinyl)benzylphosphonate de diethyle
  参考文献：
  名称：

  Évaluation de l'activité inhibitrice calcique d'une série de benzylphosphonates de diéthyle

  摘要：

  Thirty-nine diethyl benzylphosphonates related to Fostedil were evaluated as calcium antagonists, using the inhibition test on aortic contraction in the rabbit, which was more selective than the negative inotropic activity test on guinea-pig left atrial muscle. Six compounds were found to have weak activity compared with Fostedil. Structure-activity relationships indicated a certain lipophilic influence; no correlation was found with electronic parameters. The prerequisite structure to obtain active products seems to require 2 conjugated aromatic rings separated by an optimal distance.

  DOI：

  10.1016/0223-5234(92)90120-p

文献信息

• Évaluation de l'activité inhibitrice calcique d'une série de benzylphosphonates de diéthyle
  作者：G Tchani、G Baziard-Mouysset、S Younes、J Bellan、M Payard、JL Stigliani、G Grassy、R Bonnafous、J Tisne-Versailles

  DOI：10.1016/0223-5234(92)90120-p

  日期：1992.11

  Thirty-nine diethyl benzylphosphonates related to Fostedil were evaluated as calcium antagonists, using the inhibition test on aortic contraction in the rabbit, which was more selective than the negative inotropic activity test on guinea-pig left atrial muscle. Six compounds were found to have weak activity compared with Fostedil. Structure-activity relationships indicated a certain lipophilic influence; no correlation was found with electronic parameters. The prerequisite structure to obtain active products seems to require 2 conjugated aromatic rings separated by an optimal distance.