ethyl 2-[(diethoxyphosphoryl)methyl]-4-oxohexanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: ethyl 2-[(diethoxyphosphoryl)methyl]-4-oxohexanoate
• 英文别名: Ethyl 2-(diethoxyphosphorylmethyl)-4-oxohexanoate；ethyl 2-(diethoxyphosphorylmethyl)-4-oxohexanoate
• 化学式: C₁₃H₂₅O₆P
• 分子量: 308.312
• InChiKey: NMRKFZLGTCHJIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  20
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 2-[(diethoxyphosphoryl)methyl]-4-oxohexanoate 在 溶剂黄146 、 肼 作用下， 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  新型含膦酰甲基4,5-二氢哒嗪-3(2H)-酮的便捷合成

  摘要：

  DOI：

  10.1016/j.mencom.2023.09.016
• 作为产物：
  描述：

  Triethyl 2-phosphonomethylacrylate 在 硫酸 、 水 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 ethyl 2-[(diethoxyphosphoryl)methyl]-4-oxohexanoate
  参考文献：
  名称：

  A convenient synthesis of phosphonomethyl α,β-unsaturated γ-lactams

  摘要：

  A versatile access to diversely substituted alpha,beta-unsaturated gamma-lactams is described using a common allylphosphonate precursor. The construction of the gamma-lactam motive is based on two steps including a key sequential one-pot Michael addition-Nef sequence that allows the preparation of keto-ester intermediates. Our methodology allowed the selective installation of various alkyl, cycloalkyl and aryl substituents as well as a valuable phosphonomethyl fragment at positions 1 and 3 of the heterocycle. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.07.088

文献信息

• A convenient synthesis of phosphonomethyl α,β-unsaturated γ-lactams
  作者：Abderrahmen Abdelli、Mohamed Lotfi Efrit、Anne Gaucher、Hedi M’rabet、Damien Prim

  DOI：10.1016/j.tetlet.2015.07.088

  日期：2015.9

  A versatile access to diversely substituted alpha,beta-unsaturated gamma-lactams is described using a common allylphosphonate precursor. The construction of the gamma-lactam motive is based on two steps including a key sequential one-pot Michael addition-Nef sequence that allows the preparation of keto-ester intermediates. Our methodology allowed the selective installation of various alkyl, cycloalkyl and aryl substituents as well as a valuable phosphonomethyl fragment at positions 1 and 3 of the heterocycle. (C) 2015 Elsevier Ltd. All rights reserved.
• A convenient synthesis of new phosphonomethyl-containing 4,5-dihydropyridazin-3(2H)-ones
  作者：Oumayma Bejaoui、Abderrahmen Abdelli、Hedi M'rabet、Xavier Moreau、Mohamed Lotfi Efrit、Damien Prim

  DOI：10.1016/j.mencom.2023.09.016

  日期：2023.9