diethyl 2-(difluoromethyl)-4-phenyl-6-(trifluoromethyl)-3,5-pyridinedicarboxylate | 125541-55-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: diethyl 2-(difluoromethyl)-4-phenyl-6-(trifluoromethyl)-3,5-pyridinedicarboxylate
• 英文别名: 2-difluoromethyl-4-phenyl-6-trifluoromethylpyridine-3,5-dicarboxylic acid diethyl ester；diethyl 2-difluoromethyl-4-phenyl-6-trifluoromethylpyridine-3,5-dicarboxylate；Diethyl 2-(difluoromethyl)-4-phenyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate；diethyl 2-(difluoromethyl)-4-phenyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate
• CAS: 125541-55-1
• 化学式: C₁₉H₁₆F₅NO₄
• 分子量: 417.332
• InChiKey: MXIOPVASXMWBJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  65.5
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-Phenyl-2,6-bis-trifluoromethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以67%的产率得到diethyl 2-(difluoromethyl)-4-phenyl-6-(trifluoromethyl)-3,5-pyridinedicarboxylate
  参考文献：
  名称：

  A novel dehydrofluorination of 2-(trifluoromethyl)dihydro-3,5-pyridinedicarboxylates to 2-(difluoromethyl)-3,5-pyridinedicarboxylates

  摘要：

  DOI：

  10.1021/jo00296a058

文献信息

• K2CO3-assisted one-pot sequential synthesis of 2-trifluoromethyl-6-difluoromethylpyridine-3,5-dicarboxylates under solvent-free conditions
  作者：Li Shen、Song Cao、Jingjing Wu、Hui Li、Jian Zhang、Mingxi Wu、Xuhong Qian

  DOI：10.1016/j.tetlet.2010.07.041

  日期：2010.9

  A novel synthesis of 2-trifluoromethyl-6-difluoromethylpyridine-3,5-dicarboxylates by three-component reaction of ethyl trifluoroacetoacetate, aldehydes, and ammonium acetate in the presence of K2CO3 under solvent-free conditions via sequential Hantzsch reaction/dehydration/dehydrofluorination in a one-pot process was described. (C) 2010 Elsevier Ltd. All rights reserved.
• A novel dehydrofluorination of 2-(trifluoromethyl)dihydro-3,5-pyridinedicarboxylates to 2-(difluoromethyl)-3,5-pyridinedicarboxylates
  作者：Len F. Lee、Gina L. Stikes、John M. Molyneaux、Y. Larry Sing、John P. Chupp、Scott S. Woodard

  DOI：10.1021/jo00296a058

  日期：1990.4