5-(3-hydroxy-4-oxonaphthalen-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione | 1253123-95-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5-(3-hydroxy-4-oxonaphthalen-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
• CAS: 1253123-95-3
• 化学式: C₁₆H₁₂O₆
• 分子量: 300.268
• InChiKey: YXFGWNROVZVOQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  丙二酸环(亚)异丙酯 、 sodium 1,2-naphthoquinone-4-sulfonate 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以32%的产率得到5-(3-hydroxy-4-oxonaphthalen-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
  参考文献：
  名称：

  Polyethylene Glycol (PEG 300) and Water–Ethanol as Benign Solvent Systems for the Synthesis of a Novel Series of 2-Hydroxynaphthalen-1(4H)-Ones

  摘要：

  An improved, clean, simple, and efficient method for the synthesis of new series of 2-hydroxy-4-methylenenaphthalen-1(4H)-one is described. This new process involves a domino Michael addition of various methylene acid compounds with the sodium salt of 1,2-naphthoquinone-4-sulfonate either in basic (tBuOK) polyethylene glycol (PEG300) at room temperature or in a basic (NaOH) water-ethanol medium at 40 degrees C by a crushing in a mortar or a traditional heating.

  DOI：

  10.1080/00397911003797916

文献信息

• Polyethylene Glycol (PEG 300) and Water–Ethanol as Benign Solvent Systems for the Synthesis of a Novel Series of 2-Hydroxynaphthalen-1(4<i>H</i>)-Ones
  作者：D. Villemin、M. Benabdallah、N. Choukchou-Braham、B. Mostefa-Kara

  DOI：10.1080/00397911003797916

  日期：2010.9.20

  An improved, clean, simple, and efficient method for the synthesis of new series of 2-hydroxy-4-methylenenaphthalen-1(4H)-one is described. This new process involves a domino Michael addition of various methylene acid compounds with the sodium salt of 1,2-naphthoquinone-4-sulfonate either in basic (tBuOK) polyethylene glycol (PEG300) at room temperature or in a basic (NaOH) water-ethanol medium at 40 degrees C by a crushing in a mortar or a traditional heating.