4-bromo-9,9-dimethylxanthene-5-boronic acid | 1258496-47-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-bromo-9,9-dimethylxanthene-5-boronic acid
• 英文别名: (5-Bromo-9,9-dimethylxanthen-4-yl)boronic acid；(5-bromo-9,9-dimethylxanthen-4-yl)boronic acid
• CAS: 1258496-47-7
• 化学式: C₁₅H₁₄BBrO₃
• 分子量: 332.989
• InChiKey: JSGOXVQLLNMMGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-bromo-9,9-dimethylxanthene-5-boronic acid 、 2-(4-碘苯基)-噁唑 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 6.0h， 以82%的产率得到2-[4-(5-Bromo-9,9-dimethylxanthen-4-yl)phenyl]-4,5-dihydro-1,3-oxazole
  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：

  在 水 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以5.32 g的产率得到4-bromo-9,9-dimethylxanthene-5-boronic acid
  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

文献信息

• Synthesis and Characterization of Silver and Palladium Complexes with Xanthene-Based N-Heterocyclic Carbene−Oxazoline Ligands
  作者：Takeshi Makino、Ryu Yamasaki、Isao Azumaya、Hyuma Masu、Shinichi Saito

  DOI：10.1021/om100673e

  日期：2010.12.13

  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.