N1-(2,6-diisopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-N2-(2,6-diisopropylphenyl)ethane-1,2-diamine | 1258496-49-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N1-(2,6-diisopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-N2-(2,6-diisopropylphenyl)ethane-1,2-diamine
• CAS: 1258496-49-9
• 化学式: C₃₂H₅₁BN₂O₂
• 分子量: 506.58
• InChiKey: WGQCZVNEXYQFEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.0
• 重原子数：
  37.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  42.52
• 氢给体数：
  2.0
• 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 、 N1-(2,6-diisopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-N2-(2,6-diisopropylphenyl)ethane-1,2-diamine 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 68.0h， 以85%的产率得到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
  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-(2,6-diisopropylphenyl)-N'-(4-iodo-2,6-diisopropylphenyl)ethane-1,2-diamine 、 频那醇硼烷 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以74%的产率得到N1-(2,6-diisopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-N2-(2,6-diisopropylphenyl)ethane-1,2-diamine
  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