2-Carboxy-5,5-dimethylcyclohexan-1,3-dion | 54334-95-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Carboxy-5,5-dimethylcyclohexan-1,3-dion
• 英文别名: 4,4-Dimethyl-2,6-dioxocyclohexane-1-carboxylic acid
• CAS: 54334-95-1
• 化学式: C₉H₁₂O₄
• 分子量: 184.192
• InChiKey: AGWLYMMZUHQLPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 二氧化碳 在 ammonium carbonate 作用下， 生成 2-Carboxy-5,5-dimethylcyclohexan-1,3-dion
  参考文献：
  名称：

  Spontaneous α‐C−H Carboxylation of Ketones by Gaseous CO2 at the Air‐water Interface of Aqueous Microdroplets

  摘要：

  We present a catalyst‐free route for the reduction of carbon dioxide integrated with the formation of a carbon‐carbon bond at the air/water interface of negatively charged aqueous microdroplets, at ambient temperature. The reactions proceed through carbanion generation at the α‐carbon of a ketone followed by nucleophilic addition to CO2. Online mass spectrometry reveals that the product is an α‐ketoacid. Several factors, such as the concentration of the reagents, pressure of CO2 gas, and distance traveled by the droplets, control the kinetics of the reaction. Theoretical calculations suggest that water in the microdroplets facilitates this unusual chemistry. Furthermore, such a microdroplet strategy has been extended to seven different ketones. This work demonstrates a green pathway for the reduction of CO2 to useful carboxylated organic products.

  DOI：

  10.1002/anie.202403229

文献信息

• [EN] MICROBIOCIDAL PYRAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRAZOLE MICROBIOCIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2012107477A1

  公开（公告）日：2012-08-16

  The present invention provides compounds of formula I: wherein the substituents are as defined in claim 1, are useful as active ingredients, which have microbiocidal activity, in particular fungicidal activity.

  本发明提供了公式I的化合物：其中取代基如权利要求1所定义，其作为活性成分是有用的，具有微生物杀灭活性，特别是杀真菌活性。
• MICROBIOCIDAL PYRAZOLE DERIVATIVES
  申请人：Lamberth Clemens

  公开号：US20130317064A1

  公开（公告）日：2013-11-28

  The present invention provides compounds of formula I: wherein the substituents are as defined in claim 1 , are useful as active ingredients, which have microbiocidal activity, in particular fungicidal activity.

  本发明提供了I式化合物：其中取代基如权利要求1所定义，其作为活性成分具有微生物杀菌活性，特别是真菌杀菌活性。
• JPS56128727A
  申请人：——

  公开号：JPS56128727A

  公开（公告）日：1981-10-08