2-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)cyclohexane-1,3-dione | 1313409-11-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)cyclohexane-1,3-dione
• 英文别名: 2-(2,2,3,3,3-Pentafluoro-1-hydroxypropyl)cyclo-hexane-1,3-dione
• CAS: 1313409-11-8
• 化学式: C₉H₉F₅O₃
• 分子量: 260.161
• InChiKey: FMMPUHYWUHLUKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 2-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)cyclohexane-1,3-dione 以 乙醚 为溶剂， 反应 0.5h， 以90%的产率得到3-methoxy-2-(2,2,3,3,3-pentafluoro-1-methoxypropyl)cyclohex-2-en-1-one
  参考文献：
  名称：

  Regioselective reduction of 2-perfluoroalkanoylcyclohexane-1,3-diones and their enamino derivatives

  摘要：

  Ionic hydrogenation of 2-perfluoroalkanoylcyclohexane-1,3-diones and their endocyclic enamino derivatives containing a secondary amino group by the action of triethylsilane in trifluoroacetic acid in the presence of a catalytic amount of lithium perchlorate involved regioselective reduction of the side-chain carbonyl group to hydroxy with formation of the corresponding hydroxy diketones and hydroxy amino ketones, respectively. Under analogous conditions endocyclic enamino derivatives possessing a tertiary amino group underwent deacylation to give enamino ketones.

  DOI：

  10.1134/s1070363211040098
• 作为产物：
  描述：

  2-pentafluoropropionylcyclohexane-1,3-dione 在 三乙基硅烷 、 lithium perchlorate 作用下， 以 三氟乙酸 为溶剂， 反应 5.0h， 以92%的产率得到2-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)cyclohexane-1,3-dione
  参考文献：
  名称：

  Regioselective reduction of 2-perfluoroalkanoylcyclohexane-1,3-diones and their enamino derivatives

  摘要：

  Ionic hydrogenation of 2-perfluoroalkanoylcyclohexane-1,3-diones and their endocyclic enamino derivatives containing a secondary amino group by the action of triethylsilane in trifluoroacetic acid in the presence of a catalytic amount of lithium perchlorate involved regioselective reduction of the side-chain carbonyl group to hydroxy with formation of the corresponding hydroxy diketones and hydroxy amino ketones, respectively. Under analogous conditions endocyclic enamino derivatives possessing a tertiary amino group underwent deacylation to give enamino ketones.

  DOI：

  10.1134/s1070363211040098