ethyl 2-(4,4-dimethyl-6-oxo-1-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)piperidin-2-yl)acetate | 1588498-53-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: ethyl 2-(4,4-dimethyl-6-oxo-1-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)piperidin-2-yl)acetate
• 英文别名: Ethyl 2-[4,4-dimethyl-6-oxo-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]acetate；ethyl 2-[4,4-dimethyl-6-oxo-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]acetate
• CAS: 1588498-53-6
• 化学式: C₁₈H₁₈F₇NO₃
• 分子量: 429.335
• InChiKey: IFAURRSTPOXTIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  乙醇 、 ethyl 2-(4,4-dimethyl-6-oxo-1-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)piperidin-2-yl)acetate 在 potassium tert-butylate 、 lithium hexamethyldisilazane 、 二碳酸二叔丁酯 作用下， 以 四氢呋喃 、 2-甲基四氢呋喃 为溶剂， 反应 7.75h， 以72%的产率得到(E)-diethyl 5,5-dimethylhept-2-enedioate
  参考文献：
  名称：

  Ligand-Enabled γ-C–H Olefination and Carbonylation: Construction of β-Quaternary Carbon Centers

  摘要：

  Monoselective gamma-C-H olefination and carbonylation of aliphatic acids has been accomplished by using a combination of a quinoline-based ligand and a weakly coordinating amide directing group. The reaction provides a new route for constructing richly functionalized all-carbon quaternary carbon centers at the beta-position of aliphatic acids.

  DOI：

  10.1021/ja501689j
• 作为产物：
  描述：

  3,3-二甲基-1-丁酸 在 dipotassium hydrogenphosphate 、 草酰氯 、 2,2,6,6-四甲基哌啶氧化物 、 八氟甲苯 、 7-( tert-butyl)-2,5-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]quinoline 、 氧气 、 silver(I) acetate 、 palladium diacetate 、 碳酸氢钠 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 20.0~120.0 ℃ 、101.33 kPa 条件下， 反应 32.0h， 生成 ethyl 2-(4,4-dimethyl-6-oxo-1-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)piperidin-2-yl)acetate
  参考文献：
  名称：

  Ligand-Enabled γ-C–H Olefination and Carbonylation: Construction of β-Quaternary Carbon Centers

  摘要：

  Monoselective gamma-C-H olefination and carbonylation of aliphatic acids has been accomplished by using a combination of a quinoline-based ligand and a weakly coordinating amide directing group. The reaction provides a new route for constructing richly functionalized all-carbon quaternary carbon centers at the beta-position of aliphatic acids.

  DOI：

  10.1021/ja501689j

文献信息

• Ligand-Enabled γ-C–H Olefination and Carbonylation: Construction of β-Quaternary Carbon Centers
  作者：Suhua Li、Gang Chen、Chen-Guo Feng、Wei Gong、Jin-Quan Yu

  DOI：10.1021/ja501689j

  日期：2014.4.9

  Monoselective gamma-C-H olefination and carbonylation of aliphatic acids has been accomplished by using a combination of a quinoline-based ligand and a weakly coordinating amide directing group. The reaction provides a new route for constructing richly functionalized all-carbon quaternary carbon centers at the beta-position of aliphatic acids.