1-{2-[(2,2-dimethyl-1λ5,2λ5-diazynylidene)methyl]-4,4-dimethylcyclobut1-en-1-yl}-2,2,2-trifluoroethanone | 1261297-04-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-{2-[(2,2-dimethyl-1λ5,2λ5-diazynylidene)methyl]-4,4-dimethylcyclobut1-en-1-yl}-2,2,2-trifluoroethanone
• CAS: 1261297-04-4
• 化学式: C₁₁H₁₅F₃N₂O
• 分子量: 248.248
• InChiKey: IZBNWDTWRIMOSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  32.67
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-({3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]cyclobut-1-en-1-yl}methylene)-1,1-dimethyl-1λ5,2λ5-diazyne 在 甲酸 、 乙酸酐 作用下， 以 水 为溶剂， 反应 1.0h， 以58%的产率得到1-{2-[(2,2-dimethyl-1λ5,2λ5-diazynylidene)methyl]-4,4-dimethylcyclobut1-en-1-yl}-2,2,2-trifluoroethanone
  参考文献：
  名称：

  The general approach for the synthesis of substituted cyclobutenyl- and norbornadienyllithiums containing masked trifluoromethyl group

  摘要：

  alpha,beta-Unsaturated trifluoromethylketones of cyclobutene number containing trimethylstannyl substituent in beta-position were firstly prepared by the addition of trimethylstannyllithium to the corresponding trifluoromethylenaminoketones. The protection of carbonyl function under basic conditions conserving the organometallic substituent was elaborated. The generation of corresponding organolithiums by Sn-Li exchange and their reactivity was studied. (C) 2010 Elsevier Ltd. All rights reserved,

  DOI：

  10.1016/j.tet.2010.10.024