diethyl 2-hydroxy-2-(thiophen-3-yl)ethylphosphonate | 1165945-30-1

• 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: diethyl 2-hydroxy-2-(thiophen-3-yl)ethylphosphonate
• 英文别名: Diethyl[2-hydroxy-2-(thiophene-3-yl)ethyl]phosphonate；2-diethoxyphosphoryl-1-thiophen-3-ylethanol
• CAS: 1165945-30-1
• 化学式: C₁₀H₁₇O₄PS
• 分子量: 264.282
• InChiKey: BZWTWHWJCFWWME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  84
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl 2-hydroxy-2-(thiophen-3-yl)ethylphosphonate 在 盐酸 、 水 作用下， 反应 1.5h， 以91%的产率得到diethyl 2-(thiophen-3-yl)vinylphosphonate
  参考文献：
  名称：

  Synthesis of 2-(Thiophen-3-yl)vinylphosphonic Acid

  摘要：

  A simple and efficient synthesis of 2-(thiophen-3-yl)vinylphosphonic acid has been developed. The title compound is obtained in 70% yield by addition of thiophene-3-carbaldehyde to lithium diethyl methylenephosphonate, followed by dehydration and hydrolysis. 1H, 13C, and 31P NMR spectra are presented for each of the intermediates.

  DOI：

  10.1080/00397910902784462
• 作为产物：
  描述：

  3-噻吩甲醛 、 甲基膦酸二乙酯 在 正丁基锂 、 水 、 氯化铵 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.41h， 以83%的产率得到diethyl 2-hydroxy-2-(thiophen-3-yl)ethylphosphonate
  参考文献：
  名称：

  Synthesis of 2-(Thiophen-3-yl)vinylphosphonic Acid

  摘要：

  A simple and efficient synthesis of 2-(thiophen-3-yl)vinylphosphonic acid has been developed. The title compound is obtained in 70% yield by addition of thiophene-3-carbaldehyde to lithium diethyl methylenephosphonate, followed by dehydration and hydrolysis. 1H, 13C, and 31P NMR spectra are presented for each of the intermediates.

  DOI：

  10.1080/00397910902784462

文献信息

• Synthesis of 2-(Thiophen-3-yl)vinylphosphonic Acid
  作者：Irma Linzaga-Elizalde、Jaime Escalante、María E. Nicho、Marisol Güizado-Rodríguez

  DOI：10.1080/00397910902784462

  日期：2009.4.7

  A simple and efficient synthesis of 2-(thiophen-3-yl)vinylphosphonic acid has been developed. The title compound is obtained in 70% yield by addition of thiophene-3-carbaldehyde to lithium diethyl methylenephosphonate, followed by dehydration and hydrolysis. 1H, 13C, and 31P NMR spectra are presented for each of the intermediates.