| 1338246-07-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• CAS: 1338246-07-3
• 化学式: C₁₀H₁₀N₆
• 分子量: 214.23
• InChiKey: YKFMFTUVBYRUIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.79
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  53.46
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 trimethoxonium tetrafluoroborate 以 乙腈 为溶剂， 以47%的产率得到
  参考文献：
  名称：

  A Y-Shaped Tris-N-Heterocyclic Carbene for the Synthesis of Simultaneously Chelate-Monodentate Dipalladium Complexes

  摘要：

  A Y-shaped tris-NHC ligand has been obtained and coordinated to palladium, affording metal complexes with novel topological properties. The tris-NHC ligand is capable of coordinating the two metals, affording two different coordination environments. The X-ray molecular structure of two of the complexes are reported. The three new Pd complexes provide good activity in the hydroarylation of alkynes, although we did not find any clear evidence about the benefits of using the dimetallic palladium species in the catalytic outcomes.

  DOI：

  10.1021/om200820s
• 作为产物：
  描述：

  N-(1-methyl-4-nitroimidazol-5-yl)-imidazole 在 氢气 作用下， 以 甲醇 、 水 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 21.0h， 生成
  参考文献：
  名称：

  A Y-Shaped Tris-N-Heterocyclic Carbene for the Synthesis of Simultaneously Chelate-Monodentate Dipalladium Complexes

  摘要：

  A Y-shaped tris-NHC ligand has been obtained and coordinated to palladium, affording metal complexes with novel topological properties. The tris-NHC ligand is capable of coordinating the two metals, affording two different coordination environments. The X-ray molecular structure of two of the complexes are reported. The three new Pd complexes provide good activity in the hydroarylation of alkynes, although we did not find any clear evidence about the benefits of using the dimetallic palladium species in the catalytic outcomes.

  DOI：

  10.1021/om200820s