diethyl 2,2-dicyano-1-(2,5-dimethylphenyl)ethylphosphonate | 1351992-36-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: diethyl 2,2-dicyano-1-(2,5-dimethylphenyl)ethylphosphonate
• 英文别名: 2-[[Diethoxy(oxido)phosphaniumyl]-(2,5-dimethylphenyl)methyl]propanedinitrile；2-[[diethoxy(oxido)phosphaniumyl]-(2,5-dimethylphenyl)methyl]propanedinitrile
• CAS: 1351992-36-3
• 化学式: C₁₆H₂₁N₂O₃P
• 分子量: 320.328
• InChiKey: JRXACYGXQNQENP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  89.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,5-二甲基苯甲醛 、 丙二腈 、 亚磷酸三乙酯 在 ethylenediamine Tetraacetic Acid 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以88%的产率得到diethyl 2,2-dicyano-1-(2,5-dimethylphenyl)ethylphosphonate
  参考文献：
  名称：

  Efficient one-pot synthesis of β-phosphono malonates and 2-amino-4H-chromen-4-ylphosphonate derivatives by ethylenediamine diacetate-catalyzed three-component reactions

  摘要：

  One-pot three-component reactions of arylaldehyde or salicylaldehyde with malononitrile (or ethyl-cyanoacetate) and triethyl phosphite are carried out in the presence of ethylenediamine diacetate (EDDA) as a catalyst for the synthesis of biologically interesting beta-phosphono malonates and 2-amino-4H-chromen-4-ylphosphonate derivatives. The value of this method lies in its mild reaction catalyst and conditions, good yields, and ease of handling. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.10.060

文献信息

• Efficient one-pot synthesis of β-phosphono malonates and 2-amino-4H-chromen-4-ylphosphonate derivatives by ethylenediamine diacetate-catalyzed three-component reactions
  作者：Srinivasa Rao Kolla、Yong Rok Lee

  DOI：10.1016/j.tet.2011.10.060

  日期：2012.1

  One-pot three-component reactions of arylaldehyde or salicylaldehyde with malononitrile (or ethyl-cyanoacetate) and triethyl phosphite are carried out in the presence of ethylenediamine diacetate (EDDA) as a catalyst for the synthesis of biologically interesting beta-phosphono malonates and 2-amino-4H-chromen-4-ylphosphonate derivatives. The value of this method lies in its mild reaction catalyst and conditions, good yields, and ease of handling. (C) 2011 Elsevier Ltd. All rights reserved.