(Trideuteriomethoxy)methyldeuterioperoxid | 142722-11-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (Trideuteriomethoxy)methyldeuterioperoxid
• CAS: 142722-11-0
• 化学式: C₂H₆O₃
• 分子量: 82.0361
• InChiKey: CDXAGPPPWKCPRI-GUEYOVJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.08
• 重原子数：
  5.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  氘代甲醇 、 1,1-二乙氧基乙烯 在 臭氧 作用下， 生成 (Trideuteriomethoxy)methyldeuterioperoxid 、 碳酸二乙酯
  参考文献：
  名称：

  Reiser, Ralf; Sueling, Carsten; Schroeder, Gerhard, Chemische Berichte, 1992, vol. 125, # 11, p. 2493 - 2502

  摘要：

  DOI：

文献信息

• Risk Assessment and Safety Evaluation Study for Ozonolysis of β-Pinene: Raw Material of a Novel Prostaglandin D₂ Receptor Antagonist S-5751
  作者：Takemasa Hida、Junko Kikuchi、Makoto Kakinuma、Hideo Nogusa

  DOI：10.1021/op100065d

  日期：2010.11.19

  Safety evaluation for ozonolysis of beta-pinene was conducted using DSC, ARC, and RC1e. ARC measurement showed that the concentration of the ozonized mixture affects its thermal stability. The sample at a high concentration of 1.83 mol/L was very unstable even at room temperature and decomposed rapidly. ADT(24) of the diluted sample of 0.73 mol/L was 28.2 degrees C. Although reductive decomposition of the ozonized mixture at extremely low temperature is very dangerous because of accumulation of the heat of reaction, its process temperature was validated to not exceed the ADT(24). As a result, pilot manufacturing on a 300-L reactor scale could be achieved.