| 1315306-34-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• CAS: 1315306-34-3
• 化学式: C₁₁H₁₅N₂O₅P
• 分子量: 286.224
• InChiKey: MUCCHERRUUMICV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.77
• 重原子数：
  19.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  109.41
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 sodium hydride 、 sulfur 作用下， 以 四氢呋喃 为溶剂， 以76%的产率得到
  参考文献：
  名称：

  Novel aminophosphonothiophene derivatives from β-keto-δ-carbethoxyphosphonates and phosphineoxides

  摘要：

  The reaction of -keto--carbethoxyphosphonates and phosphineoxides with active methylene nitriles leads to the corresponding phosphonoalkylidenes. Treatment of these compounds with sulfur, under the classical Gewald reaction conditions, gives a ca. 1:1 mixture of novel aminophosphonothiophene derivatives 3 and 3'. In order to improve the regioselectivity of the reaction, novel conditions have been developed for the Gewald condensation, in which we used an inorganic base NaH in THF as the solvent. These conditions afforded exclusively the 3-regioisomer in good yield. [image omitted].

  DOI：

  10.1080/17415993.2011.570763
• 作为产物：
  描述：

  4-(二甲氧基磷酰基)-3-氧代丁酸乙酯 、 丙二腈 在 ammonium acetate 、 溶剂黄146 作用下， 以 苯 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Novel aminophosphonothiophene derivatives from β-keto-δ-carbethoxyphosphonates and phosphineoxides

  摘要：

  The reaction of -keto--carbethoxyphosphonates and phosphineoxides with active methylene nitriles leads to the corresponding phosphonoalkylidenes. Treatment of these compounds with sulfur, under the classical Gewald reaction conditions, gives a ca. 1:1 mixture of novel aminophosphonothiophene derivatives 3 and 3'. In order to improve the regioselectivity of the reaction, novel conditions have been developed for the Gewald condensation, in which we used an inorganic base NaH in THF as the solvent. These conditions afforded exclusively the 3-regioisomer in good yield. [image omitted].

  DOI：

  10.1080/17415993.2011.570763