dimethyl diethylaminoethynephosphonate | 343331-22-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: dimethyl diethylaminoethynephosphonate
• 英文别名: Dimethyl-(diaethylamino-aethinyl)-phosphonat；Dimethyl (diethylamino)ethynylphosphonate；2-dimethoxyphosphoryl-N,N-diethylethynamine
• CAS: 343331-22-6
• 化学式: C₈H₁₆NO₃P
• 分子量: 205.194
• InChiKey: TUDWRRSDJMQETH-UHFFFAOYSA-N

物化性质

• 沸点：
  237.0±23.0 °C(Predicted)
• 密度：
  1.091±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dimethyl diethylaminoethynephosphonate 在 丙二酸 作用下， 以 乙腈 为溶剂， 生成 dimethyl (2-(diethylamino)-2-oxoethyl)phosphonate
  参考文献：
  名称：

  Functionalization of the unsaturated organophosphorus compounds. Study of reaction of dialkylaminoethynephosphonates with malonic acid derivatives and benzenesulfonylacetonitrile

  摘要：

  Reactions of some CH-acids with dimethyl dialkylaminoethynephosphonates were studied aiming to develop methods of syntheses of the functionalized organophosphorus compounds. Reactions with malonodinitrile, ethyl cyanoacetate, and benzenesulfonylacetonitrile were shown to proceed effectively in anhydrous acetonitrile in the presence of catalytic amounts of potassium carbonate to form products of CHacids addition at the triple bond followed by prototropic isomerization to give the corresponding beta-dialkylamino-beta-phosphonomethyl-alpha-substituted acrylonitriles. In reaction with malonic acid aminoethynephosphonates are hydrolyzed to form phosphonoacetic acid dialkylamides as main products.

  DOI：

  10.1134/s107036320811008x
• 作为产物：
  描述：

  2-chloroacetylenephosphonic acid dimethyl ester 、 二乙胺 生成 dimethyl diethylaminoethynephosphonate
  参考文献：
  名称：

  Reaction of aminoethynylphosphonates with malononitrile

  摘要：

  DOI：

  10.1134/s107036320705026x

文献信息

• Reaction of Aminoacetylenephosphonates with Secondary Amines
  作者：A. V. Aleksandrova、A. V. Dogadina、B. I. Ionin

  DOI：10.1007/s11176-005-0484-7

  日期：2005.10
• GARIBINA V. A.; DOGADINA A. V.; IONIN B. I.; PETROV A. A., ZH. OBSHCH. XIMII, 1979, 49. HO 10, 2385-2386
  作者：GARIBINA V. A.、 DOGADINA A. V.、 IONIN B. I.、 PETROV A. A.

  DOI：——

  日期：——