propargyl methyl phosphonite | 1347749-23-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: propargyl methyl phosphonite
• 英文别名: methyl-phosphinic acid prop-2-ynyl ester
• CAS: 1347749-23-8
• 化学式: C₄H₇O₂P
• 分子量: 118.072
• InChiKey: GTJOHLIXYQSHQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.74
• 重原子数：
  7.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  propargyl methyl phosphonite 、 六氟丙酮 以 四氢呋喃 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis and testing of trifluoromethyl-containing phosphonate–peptide conjugates as inhibitors of serine hydrolases

  摘要：

  A modification of novel fluorinated organophosphorous compounds containing terminal alkyne group by different azidopeptides via Cu(I)-catalyzed click chemistry has been described. The inhibitor activity of trifluoromethyl-containing methylphosphonates and their peptide-conjugates towards acetylcholinesterase, butyrylcholinesterase, and carboxylesterase has been investigated. It was shown that the incorporation of peptide fragments significantly modulates the esterase profile of starting methylphosphonates. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.030
• 作为产物：
  描述：

  甲基二氯膦 、 2-丙炔-1-醇 以65%的产率得到propargyl methyl phosphonite
  参考文献：
  名称：

  Synthesis and testing of trifluoromethyl-containing phosphonate–peptide conjugates as inhibitors of serine hydrolases

  摘要：

  A modification of novel fluorinated organophosphorous compounds containing terminal alkyne group by different azidopeptides via Cu(I)-catalyzed click chemistry has been described. The inhibitor activity of trifluoromethyl-containing methylphosphonates and their peptide-conjugates towards acetylcholinesterase, butyrylcholinesterase, and carboxylesterase has been investigated. It was shown that the incorporation of peptide fragments significantly modulates the esterase profile of starting methylphosphonates. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.030