10-(3,5-Dimethylpyrazol-1-yl)-7,7-difluoro-3,5-dimethyl-9-phenyl-2,11,12-triaza-6-azonia-7-boranuidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene | 1202474-92-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 10-(3,5-Dimethylpyrazol-1-yl)-7,7-difluoro-3,5-dimethyl-9-phenyl-2,11,12-triaza-6-azonia-7-boranuidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
• CAS: 1202474-92-7
• 化学式: C₂₀H₁₉BF₂N₆
• 分子量: 392.219
• InChiKey: AVMYZGSKFMQTQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  52.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  频哪醇 、 10-(3,5-Dimethylpyrazol-1-yl)-7,7-difluoro-3,5-dimethyl-9-phenyl-2,11,12-triaza-6-azonia-7-boranuidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene 在 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以68%的产率得到3,6-bis(3,5-dimethylpyrazol-1-yl)-4-phenyl-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)pyridazine
  参考文献：
  名称：

  Ambient Temperature Nitrogen-Directed Difluoroalkynylborane Carboni−Lindsey Cycloaddition Reactions

  摘要：

  The in situ generation of alkynyldifluoroboranes in the presence of N-heterocycle substituted tetrazines provides a convenient and direct method for the synthesis of pyridazine difluoroboranes. The reactions proceed In 10 min under ambient conditions and provide the opportunity to assemble unsymmetrical products with complete regiocontrol.

  DOI：

  10.1021/ol902573x
• 作为产物：
  描述：

  3,6-二(3,5-二甲基-1H-吡唑-1-基)-1,2,4,5-四嗪 、 tetraethylammonium (phenylethynyl)trifluoroborate 在 三甲基氯硅烷 作用下， 以 二氯甲烷 为溶剂， 以99%的产率得到10-(3,5-Dimethylpyrazol-1-yl)-7,7-difluoro-3,5-dimethyl-9-phenyl-2,11,12-triaza-6-azonia-7-boranuidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
  参考文献：
  名称：

  Ambient Temperature Nitrogen-Directed Difluoroalkynylborane Carboni−Lindsey Cycloaddition Reactions

  摘要：

  The in situ generation of alkynyldifluoroboranes in the presence of N-heterocycle substituted tetrazines provides a convenient and direct method for the synthesis of pyridazine difluoroboranes. The reactions proceed In 10 min under ambient conditions and provide the opportunity to assemble unsymmetrical products with complete regiocontrol.

  DOI：

  10.1021/ol902573x

文献信息

• Ambient Temperature Nitrogen-Directed Difluoroalkynylborane Carboni−Lindsey Cycloaddition Reactions
  作者：Jérôme F. Vivat、Harry Adams、Joseph P. A. Harrity

  DOI：10.1021/ol902573x

  日期：2010.1.1

  The in situ generation of alkynyldifluoroboranes in the presence of N-heterocycle substituted tetrazines provides a convenient and direct method for the synthesis of pyridazine difluoroboranes. The reactions proceed In 10 min under ambient conditions and provide the opportunity to assemble unsymmetrical products with complete regiocontrol.