chloro(N,C-2-(dimethylaminomethyl)phenyl)(1,3,5-triaza-7-phosphaadamantane)palladium | 917019-94-4

• 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: chloro(N,C-2-(dimethylaminomethyl)phenyl)(1,3,5-triaza-7-phosphaadamantane)palladium
• 英文别名: N,N-dimethyl-1-phenylmethanamine;palladium(2+);1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decane;chloride
• CAS: 917019-94-4
• 化学式: C₁₅H₂₄ClN₄PPd
• 分子量: 433.229
• InChiKey: IFQQLUVFLGUZOE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.29
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3,5-三氮杂-7-磷杂金刚烷 、 bis[(benzyldimethylamino)chloropalladium(II)] 以 二氯甲烷 为溶剂， 以96%的产率得到chloro(N,C-2-(dimethylaminomethyl)phenyl)(1,3,5-triaza-7-phosphaadamantane)palladium
  参考文献：
  名称：

  A Copper- and Amine-Free Sonogashira Reaction of Aryl Halides Catalyzed by 1,3,5-Triaza-7-phosphaadamantane Palladium Systems

  摘要：

  The monomeric complex [Pd(dmba) Cl(PTA)] [dmba = N,C-chelating 2-(dimethylaminomethyl) phenyl; PTA = 1,3,5-triaza-7-phosphaadamantane] has been obtained and its crystal structure has been established by X-ray diffraction. Conditions for an efficient copper-and amine-free catalyzed Sonogashira reaction of aryl bromides and chlorides with terminal alkynes by [Pd(dmba)Cl(PTA)] and Pd(OAc)(2)/PTA have been developed. It is worthwhile noting that a relatively low palladium catalyst loading has been employed.

  DOI：

  10.1021/om060636k