4-methyl-6-oxo-heptanoic acid | 58447-40-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 4-methyl-6-oxo-heptanoic acid
• 英文别名: 4-Methyl-6-oxo-heptansaeure；4-methyl-2-pentanone-acetic acid；4-methyl-6-oxoheptanoic acid
• CAS: 58447-40-8
• 化学式: C₈H₁₄O₃
• 分子量: 158.197
• InChiKey: OMUNJJPUXKRNCU-UHFFFAOYSA-N

物化性质

• 沸点：
  171 °C(Press: 14 Torr)
• 密度：
  1.079 g/cm3(Temp: 17 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  4-methyl-6-oxo-heptanoic acid 、 alkaline earth salt of/the/ methylsulfuric acid 生成 3-甲基己二酸
  参考文献：
  名称：

  Wallach, Justus Liebigs Annalen der Chemie, 1913, vol. 395, p. 83

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二甲基环己醇 在 水 、 permanganate(VII) ion 作用下， 生成 4-methyl-6-oxo-heptanoic acid
  参考文献：
  名称：

  Godchot, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1923, vol. 176, p. 1152

  摘要：

  DOI：

文献信息

• Pesticidal compounds
  申请人：ROUSSEL UCLAF

  公开号：EP0300797A1

  公开（公告）日：1989-01-25

  The present invention provides a class of novel substituted bicyclooctanes which have pesticidal activity, particularly against arthropod pests. Pesticidal formulations containing the compounds of the formula (I), their use in the control of pests and methods for their preparation are also disclosed.

  本发明提供了一类具有杀虫活性，特别是对节肢动物害虫具有杀虫活性的新型取代双环辛烷。本发明还公开了含有式（I）化合物的杀虫制剂、其在防治害虫中的用途及其制备方法。
• METHOD FOR PRODUCING CARBOXYLIC ACID
  申请人：National Institute of Advanced Industrial Science and Technology

  公开号：EP1544190A1

  公开（公告）日：2005-06-22

  The present invention provides a safe, convenient and efficient method for producing carboxylic acid by a reaction of alicyclic alcohol with an aqueous hydrogen peroxide to thereby obtain carboxylic acid in high yield from alicyclic alcohol or alicyclic ketone under mild reaction conditions, wherein the reaction operation is simple and easy, a step for removing solvent after completion of the reaction is not necessary and influence and toxicity upon the environment and human body are markedly small. In order to provide it, an oily alicyclic alcohol is allowed to react with an aqueous hydrogen peroxide in the presence of a catalyst containing a metal compound belonging to Group 6 of the Periodic Table in a heterogeneous solution system.

  本发明提供了一种安全、方便、高效的生产羧酸的方法，该方法通过脂环醇与过氧化氢水溶液反应，从而在温和的反应条件下，从脂环醇或脂环酮中高产率地获得羧酸，反应操作简单易行，反应完成后无需去除溶剂的步骤，对环境和人体的影响和毒性明显较小。为了实现这一目标，需要在一个异相溶液体系中，在含有元素周期表第 6 族金属化合物的催化剂存在下，使油性脂环醇与过氧化氢水溶液发生反应。
• Method for producing carboxylic acid
  申请人：Sato Kazuhiko

  公开号：US20050215817A1

  公开（公告）日：2005-09-29

  The present invention provides a safe, convenient and efficient method for producing carboxylic acid by a reaction of alicyclic alcohol with an aqueous hydrogen peroxide to thereby obtain carboxylic acid in high yield from alicyclic alcohol or alicyclic ketone under mild reaction conditions, wherein the reaction operation is simple and easy, a step for removing solvent after completion of the reaction is not necessary and influence and toxicity upon the environment and human body are markedly small. In order to provide it, an oily alicyclic alcohol is allowed to react with an aqueous hydrogen peroxide in the presence of a catalyst containing a metal compound belonging to Group 6 of the Periodic Table in a heterogeneous solution system.

  本发明提供了一种安全、方便、高效的生产羧酸的方法，该方法通过脂环醇与过氧化氢水溶液反应，从而在温和的反应条件下，从脂环醇或脂环酮中高产率地获得羧酸，反应操作简单易行，反应完成后无需去除溶剂的步骤，对环境和人体的影响和毒性明显较小。为了实现这一目标，需要在一个异相溶液体系中，在含有元素周期表第 6 族金属化合物的催化剂存在下，使油性脂环醇与过氧化氢水溶液发生反应。
• Process for producing carbonyl or hydroxy compound
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1188735B1

  公开（公告）日：2005-07-27
• METHOD FOR PRODUCING CARBOXYLIC ACIDS
  申请人：National Institute of Advanced Industrial Science and Technology

  公开号：EP1544190B1

  公开（公告）日：2011-08-31