| 1346446-73-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1346446-73-8
• 化学式: C₁₅H₂₂NO₅P
• 分子量: 327.317
• InChiKey: HMQSVNJXPZQPPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.77
• 重原子数：
  22.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  73.86
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  以 diphenyl ether-biphenyl eutectic 为溶剂， 反应 0.25h， 以29%的产率得到diethyl (4-oxo-1,4-dihydroquinolin-3-yl)phosphonate
  参考文献：
  名称：

  Efficient synthesis of phosphorylated ortho-fused azaheterocycles

  摘要：

  A simple and efficient two-step synthesis of various ortho-fused azaheterocycles, containing phosphorylated pyrimidinones as a parent component, was accomplished by the reaction of 2-diethoxyphosphoryl-3-methoxyacrylate with heteroaromatic amines followed by intramolecular N-acylation of the obtained substitution products. Optimization studies performed for the N-acylation reaction revealed that heating the addition products in Dowtherm A at 250 C gave the best results. The same conditions applied in the intramolecular cyclization of ethyl 2-diethoxyphosphoryl-3-aminophenylacrylate gave expected product of the electrophilic aromatic substitution, but in low yield. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.09.139
• 作为产物：
  描述：

  ethyl 3-methoxy-2-diethoxyphosphorylacrylate 、 苯胺 以 乙醇 为溶剂， 反应 20.0h， 以75%的产率得到
  参考文献：
  名称：

  A simple and effective synthesis of activated vinylphosphonates from 3-methoxy-2-diethoxyphosphorylacrylate

  摘要：

  A facile, efficient and general one-step procedure for the synthesis of 3-substituted 2-diethoxyphosphorylacrylates from 3-methoxy-2-diethoxyphosphorylacrylate 1b and nitrogen, carbon and phosphorus nucleophiles is presented. Reaction of 1b with 3,5-dimethoxyphenol in the presence of trifluoromethanesulfonic acid yields 3-diethoxyphosphoryl-5,7-dimethoxychromen-2-one. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.02.108