2-[[Diethoxy(oxido)phosphaniumyl]-(3-hydroxy-4-methoxyphenyl)methyl]propanedinitrile | 1537917-47-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-[[Diethoxy(oxido)phosphaniumyl]-(3-hydroxy-4-methoxyphenyl)methyl]propanedinitrile
• CAS: 1537917-47-7
• 化学式: C₁₅H₁₉N₂O₅P
• 分子量: 338.3
• InChiKey: FRAMUPFCJQSLTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.37
• 重原子数：
  23.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  112.57
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  异香兰素 、 丙二腈 、 亚磷酸三乙酯 在 HCNC-4 作用下， 以 neat (no solvent) 为溶剂， 反应 0.42h， 以78%的产率得到2-[[Diethoxy(oxido)phosphaniumyl]-(3-hydroxy-4-methoxyphenyl)methyl]propanedinitrile
  参考文献：
  名称：

  Heterogeneous reusable catalyst, ultrasound energy, and no solvent: a quick and green recipe for one-pot synthesis of β-phosphonomalononitriles at room temperature

  摘要：

  Clay-supported heteropolyacid catalyst has been prepared and investigated as a novel heterogeneous, reusable and efficient catalyst for the one-pot synthesis of beta-phosphonomalononitriles under ultrasound irradiation at room temperature. Compared with traditional methods, the present method is solvent-free, works under milder and cleaner conditions, furnishes products with higher purity and yields, needs shorter reaction time, easier work-up procedure, and generates less waste. No column purification is required and the products can be purified by simple crystallization. The catalyst can be easily recovered and reused several times without significant loss of its catalytic activity. The catalyst was characterized by scanning electron microscopy, X-ray powder diffraction, and thermal gravimetric, surface area, and elemental analyses. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.11.095