2-methoxyethyl isopropylphosphonic acid | 1256699-02-1

• 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: 2-methoxyethyl isopropylphosphonic acid
• 英文别名: 2-Methoxyethoxy(propan-2-yl)phosphinic acid
• CAS: 1256699-02-1
• 化学式: C₆H₁₅O₄P
• 分子量: 182.156
• InChiKey: KAGBOQKIYNERPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-methoxyethyl isopropylphosphonic acid 、 仲丁醇 在 silica gel 、 N,N'-二环己基碳二亚胺 作用下， 反应 1.42h， 以70.8%的产率得到O-isobutyl 2-methoxyethyl isopropylphosphonate
  参考文献：
  名称：

  Surface-Mediated Synthesis of O-Alkyl 2-Methoxyethyl Alkylphosphonates Under Solvent Free Conditions: Potential Marker of Nerve Agents

  摘要：

  This article describes rapid and efficient surface mediated synthesis of O-alkyl 2-methoxyethyl alkylphosphonates from alkylphosphonic acids and alcohols using dicyclohexyl carbodiimide (DCC)-Celite as a solid support. These compounds are markers of nerve agents. 2-Methoxyethyl methylphosphonic acids (2a-d) were reacted with various alcohols to yield O-alkyl 2-methoxyethyl alkylphosphonates (AMEAPs, 3a-m). This synthetic method has advantages over other methods in terms of selectivity, shorter reaction time, high yield, and easy work-up.

  DOI：

  10.1080/10426500903496705
• 作为产物：
  描述：

  乙二醇甲醚 、 异丙基磷酸 在 silica gel 、 N,N'-二环己基碳二亚胺 作用下， 生成 2-methoxyethyl isopropylphosphonic acid
  参考文献：
  名称：

  Surface-Mediated Synthesis of O-Alkyl 2-Methoxyethyl Alkylphosphonates Under Solvent Free Conditions: Potential Marker of Nerve Agents

  摘要：

  This article describes rapid and efficient surface mediated synthesis of O-alkyl 2-methoxyethyl alkylphosphonates from alkylphosphonic acids and alcohols using dicyclohexyl carbodiimide (DCC)-Celite as a solid support. These compounds are markers of nerve agents. 2-Methoxyethyl methylphosphonic acids (2a-d) were reacted with various alcohols to yield O-alkyl 2-methoxyethyl alkylphosphonates (AMEAPs, 3a-m). This synthetic method has advantages over other methods in terms of selectivity, shorter reaction time, high yield, and easy work-up.

  DOI：

  10.1080/10426500903496705