dimethyl 2-tert-butylamino-3-cyano-4-(2-furyl)-4-oxo-2-butenephosphonate | 1312300-01-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: dimethyl 2-tert-butylamino-3-cyano-4-(2-furyl)-4-oxo-2-butenephosphonate
• 英文别名: Dimethyl 2-t-butylamino-3-cyano-4-(2-furyl)-4-oxo-2-butenephosphonate；3-(tert-butylamino)-4-dimethoxyphosphoryl-2-(furan-2-carbonyl)but-2-enenitrile
• CAS: 1312300-01-8
• 化学式: C₁₅H₂₁N₂O₅P
• 分子量: 340.316
• InChiKey: CRBPMFNYAROLRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-呋喃甲酰乙腈 、 dimethyl <2-(tert-butylimino)vinyl>phosphonate 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 dimethyl 2-tert-butylamino-3-cyano-4-(2-furyl)-4-oxo-2-butenephosphonate
  参考文献：
  名称：

  Reactions of aldoketeniminophosphonates with CH-acids

  摘要：

  Aiming to obtain new polyfunctional organophosphorus compounds, we studied the reactions of aldoketeniminophosphonates with different CH-acids. The reactions were shown to proceed efficiently in anhydrous acetonitrile medium in the presence of the catalytic amounts of potassium carbonate to form the products of the addition of CH-acids to a multiple carbon-carbon bond followed by the prototropic isomerization to the corresponding gamma-substituted beta-functional alkylaminoethenephosphonates. The reaction of aldoketeniminophosphonates with CH-acids is found to depend significantly on the strength and nature of the acid. The formation of the carbon-carbon bond is possible mainly in the case of the CH-acids whose pK (a) values lie within 10-14.

  DOI：

  10.1134/s1070363211040025