| 1258496-51-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• CAS: 1258496-51-3
• 化学式: C₅₁H₅₈N₃O₂*Cl
• 分子量: 780.493
• InChiKey: PKWHFEXJHKHXJV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.92
• 重原子数：
  57.0
• 可旋转键数：
  9.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  37.07
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-[4-(5-Bromo-9,9-dimethylxanthen-4-yl)phenyl]-4,5-dihydro-1,3-oxazole 、 、 silver(l) oxide 以 二氯甲烷 为溶剂， 以99%的产率得到silver;2-[4-[5-[4-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dihydro-2H-imidazol-3-ium-2-id-1-yl]-3,5-di(propan-2-yl)phenyl]-9,9-dimethylxanthen-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;chloride
  参考文献：
  名称：

  Synthesis and Characterization of Silver and Palladium Complexes with Xanthene-Based N-Heterocyclic Carbene−Oxazoline Ligands

  摘要：

  We synthesized xanthenes substituted with two different donor ligand units, N-heterocyclic carbene (NHC) and oxazoline, by the sequential coupling reaction. Silver complexes 15 and 19 were prepared by the reaction between the xanthene derivatives and Ag2O. Pd complexes 16 and 20 were also synthesized by the reaction of the corresponding silver complexes with Pd(PhCN)(2)Cl-2. X-ray crystallographic analysis revealed that complexes 15-PF6, 16, and 20 adopted trans configurations, while the Ag atom of 15-Cl coordinated only to the NHC ligand.

  DOI：

  10.1021/om100673e
• 作为产物：
  描述：

  N'-[4-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-9,9-dimethylxanthen-4-yl]-2,6-di(propan-2-yl)phenyl]-N-[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine 、 原甲酸三乙酯 在 氯化铵 作用下， 反应 20.0h， 以83%的产率得到
  参考文献：
  名称：

  Synthesis and Characterization of Silver and Palladium Complexes with Xanthene-Based N-Heterocyclic Carbene−Oxazoline Ligands

  摘要：

  We synthesized xanthenes substituted with two different donor ligand units, N-heterocyclic carbene (NHC) and oxazoline, by the sequential coupling reaction. Silver complexes 15 and 19 were prepared by the reaction between the xanthene derivatives and Ag2O. Pd complexes 16 and 20 were also synthesized by the reaction of the corresponding silver complexes with Pd(PhCN)(2)Cl-2. X-ray crystallographic analysis revealed that complexes 15-PF6, 16, and 20 adopted trans configurations, while the Ag atom of 15-Cl coordinated only to the NHC ligand.

  DOI：

  10.1021/om100673e