1,3-bis(2,4,6-trimethylphenyl)-3,4,5,6,7,8-hexahydro-1,3-diazocin-1-ium tetrafluoroborate | 1337917-54-0

• 英文名称: 1,3-bis(2,4,6-trimethylphenyl)-3,4,5,6,7,8-hexahydro-1,3-diazocin-1-ium tetrafluoroborate
• CAS: 1337917-54-0
• 化学式: BF₄*C₂₄H₃₃N₂
• 分子量: 436.344
• InChiKey: QSHNBVCJDQXYKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  1,3-bis(2,4,6-trimethylphenyl)-3,4,5,6,7,8-hexahydro-1,3-diazocin-1-ium tetrafluoroborate 在 Amberlite IRA₄₀₂ chloride resin 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  环膨胀N-杂环碳（RE-NHC）铜配合物的合成途径及其在Click化学中的性能

  摘要：

  据报道环扩展的N-杂环卡宾（RE-NHC）卤化铜（I）配合物的简便合成。该方法利用绿色溶剂中的弱无机碱。通过在微波辐射下使用这种弱碱路线，可以大大缩短反应时间。容易获得这些络合物可以评估Huisgen 1,3-环加成反应中[Cu（RE-NHC）X]络合物的催化活性和反应谱。

  DOI：

  10.1021/acs.organomet.1c00039
• 作为产物：
  描述：

  N,N'-dimesitylformamidine 在 氟硼酸钠 、 potassium carbonate 作用下， 以 水 、 丙酮 、 乙腈 为溶剂， 反应 0.33h， 生成 1,3-bis(2,4,6-trimethylphenyl)-3,4,5,6,7,8-hexahydro-1,3-diazocin-1-ium tetrafluoroborate
  参考文献：
  名称：

  First Examples of Structurally Imposing Eight-Membered-Ring (Diazocanylidene) N-Heterocyclic Carbenes: Salts, Free Carbenes, and Metal Complexes

  摘要：

  Eight-membered-ring (diazocanylidene) N-heterocyclic carbenes (8-NHCs) are reported for the first time. The precursor salts, readily prepared by the amidine route, are converted to the free carbene by treatment with KHMDS; in general, the free NHCs can be isolated, and in one example the molecular structure was obtained. Silver complexes were prepared by direct reaction of Ag2O with the diazocanylidinium salts, and Rh complexes were formed by treatment of in situ formed free carbene with the appropriate Rh precursor complex. The salts and complexes were fully characterized using spectroscopic methods, including in some cases by X-ray crystallography. Key features of these new ring-expanded heterocyclic carbenes (RE-NHCs) are the extreme steric strain they impose on the metal center (they are the most sterically imposing class of NHC reported to date) and their high donor capacity, being some of the most basic NHCs currently available.

  DOI：

  10.1021/om200467x