1-hydroperoxy-1-methoxy-5-oxo-hexane | 116972-39-5

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氢过氧化物
• 英文名称: 1-hydroperoxy-1-methoxy-5-oxo-hexane
• 英文别名: 6-Hydroperoxy-6-methoxyhexan-2-one
• CAS: 116972-39-5
• 化学式: C₇H₁₄O₄
• 分子量: 162.186
• InChiKey: UOFQZZDHRLOVHW-UHFFFAOYSA-N

物化性质

• 沸点：
  306.2±37.0 °C(Predicted)
• 密度：
  1.068±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-hydroperoxy-1-methoxy-5-oxo-hexane 、 cis/trans-7-methoxy-3-methyl-1,2-dioxepane-3-ol 、 氘代氯仿 、 三苯基膦 生成 5-oxohexanal
  参考文献：
  名称：

  GRIESBAUM, KARL;KIESEL, GILBERT, CHEM. BER., 122,(1989) N, C. 145-149

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 1-甲基环戊烯 在 臭氧 作用下， 以4%的产率得到1-hydroperoxy-1-methoxy-5-oxo-hexane
  参考文献：
  名称：

  Ozonolyses of 1-Alkyl-Substituted 3-Methylindenes. Remarkable Effects of the Substituent Steric Bulk and the Stereochemistry of the Carbonyl Oxide Intermediates on the Efficiency of Ozonide Formation

  摘要：

  Ozonolyses of 3-methyl- and 3-isopropyl-1-methylindenes (1a,b) in ether gave mainly the corresponding oligomers 3a,b, while in the case of 3-phenyl- and 3-tert-butyl-1-methylindenes (1c,d), the corresponding exo-endo mixtures of ozonides 2c,d were obtained in good yield, the exo isomer being the major one. The ozonolyses of two stereoisomeric keto vinyl ethers, (E)-16 and (Z)-16, demonstrated that the stereochemistry of the derived carbonyl oxide 5c exerts a remarkable influence on the course of the reaction. Particularly interesting is the fact that syn-5c having a proper geometry for the concerted cycloaddition provided ozonide 2c in high yield even in the presence of trifluoroacetophenone. The high degree of similarity in the nature and distribution of the products from the ozonolyses of keto olefin (E)-16 and 1-methyl-3-phenylindene (1c) would be consistent with their respective reactions proceeding predominantly through a common carbonyl oxide intermediate syn-5c.

  DOI：

  10.1021/jo980542n

文献信息

• Griesbaum, Karl; Kiesel, Gilbert, Chemische Berichte, 1989, vol. 122, p. 145 - 150
  作者：Griesbaum, Karl、Kiesel, Gilbert

  DOI：——

  日期：——
• Griesbaum, Karl; Kiesel, Gilbert; Mertens, Henri, Canadian Journal of Chemistry, 1994, vol. 72, # 11, p. 2198 - 2204
  作者：Griesbaum, Karl、Kiesel, Gilbert、Mertens, Henri、Krieger-Beck, Petra、Henke, Henning

  DOI：——

  日期：——