6-hydroxy-2,3-dimethyl-1,4-dihydronaphthalene-1,4-dione | 1174311-42-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-hydroxy-2,3-dimethyl-1,4-dihydronaphthalene-1,4-dione
• 英文别名: 6-hydroxy-2,3-dimethyl-1,4-naphthalenedione；6-hydroxy-2,3-dimethylnaphthalene-1,4-dione
• CAS: 1174311-42-2
• 化学式: C₁₂H₁₀O₃
• 分子量: 202.21
• InChiKey: QODFUARACZBZNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-hydroxy-2,3-dimethyl-1,4-dihydronaphthalene-1,4-dione 、 重氮甲烷 在 乙酸乙酯 、 水 、 magnesium sulfate 作用下， 以 四氢呋喃 为溶剂， 以to afford 7-hydroxy-2,3,5-trimethyl-1,4-dihydronaphthalene-1,4-dione的产率得到7-hydroxy-2,3,5-trimethyl-1,4-dihydronaphthalene-1,4-dione
  参考文献：
  名称：

  METHODS OF DESIGNING, PREPARING, AND USING NOVEL PROTONOPHORES

  摘要：

  本发明提供了一种利用计算机辅助生成质子载体的方法，该方法需要使用包括处理器的计算机。该方法包括：设计质子载体，使用处理器计算估计的质子载体活性；如果估计的质子载体活性对应于约20μM或更低的U50，则生产质子载体；并确定质子载体的解偶活性。本发明还提供了满足上述要求的新型质子载体及其使用方法。

  公开号：

  US20140135359A1
• 作为产物：
  描述：

  2,3-dimethylnaphthalene-1,7-diol 在 氧气 、 rose bengal 作用下， 以 四氢呋喃 为溶剂， 生成 6-hydroxy-2,3-dimethyl-1,4-dihydronaphthalene-1,4-dione
  参考文献：
  名称：

  METHODS OF DESIGNING, PREPARING, AND USING NOVEL PROTONOPHORES

  摘要：

  本发明提供了一种利用计算机辅助的方法来生成需要使用处理器的质子载体。该方法包括：设计质子载体，使用处理器计算估计的质子载体活性；如果估计的质子载体活性对应于大约20微米或更少的U50，则生产质子载体；并确定质子载体的解耦活性。本发明还提供了符合上述要求的新型质子载体及其使用方法。

  公开号：

  US20140135359A1

文献信息

• RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD
  申请人：Kawasaki Kasei Chemicals Ltd.

  公开号：US20210122692A1

  公开（公告）日：2021-04-29

  A conventional polymerization inhibitor is for example an agent to scavenge radicals generated during storage of a radical polymerizable compound and used to stably handle the radical polymerizable compound, but is unnecessary when the radical polymerizable compound is to be subjected to radical polymerization reaction, and is preferably removed at the time of the radical polymerization reaction. The object of the present invention is to obviate inconvenience of removing the polymerization inhibitor at the time of radical polymerization. The radical polymerization control agent contained in a radical polymerizable composition of the present invention functions as a radical polymerization inhibitor for example stored in a dark place, but loses its radical polymerization inhibiting effect when polymerization is initiated while being irradiated with light at a certain specific wavelength at the time of polymerization. Thus, radical polymerization of the radical polymerizable compound is easily initiated without increasing the amount of a radical polymerization initiator. That is, the radical polymerization control agent of the present invention is a radical polymerization control agent which is a corn pound having an effect to inhibit radical polymerization of a radical polymerizable compound and which loses the radical polymerization inhibiting effect under irradiation with light rays containing light within a wavelength range of from 300 nm to 500 nm.