| 952487-93-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 952487-93-3
• 化学式: CF₃O₃S*C₅₈H₄₃ClNP₂Pd
• 分子量: 1106.88
• InChiKey: MDMOYDBHNPZXIU-CUSPERBOSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  、 silver trifluoromethanesulfonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 以 二氯甲烷 为溶剂， 以94%的产率得到
  参考文献：
  名称：

  Conformational Changes and Anion−Cation Interactions in Palladium-Cyclometalated BINAP and Chiraphos Cationic Complexes. A Structural Study via NMR and X-ray Methods

  摘要：

  The cyclometalated Pd complexes [Pd{(A or B)C6H3CH=N(p-CH3C6H4)}(BINAP)](X) (8-13; X = PF6-, BArF-, CF3SO3-, A, B = meta or para ring substituent), [Pd{(C6H4CH(CH3)N(CH3)(2))}{(S)- or (R)-BINAP)}](CF3SO3) (14a,b), and [Pd{(C6H4CH(CH3)N(CH3)(2))}{(S,S)- or (R,R)-Chiraphos)}](CF3-SO3) (15a,b) have been prepared, and five of these have been studied by X-ray diffraction. NMR Overhauser measurements reveal that the chiral cyclometalated amine chelate senses the change in the chirality, for both the BINAP and the Chiraphos auxiliaries, and responds by a conformational adjustment of the ring. H-1,F-19-HOESY data for both 14 and 15 suggest differences between the diastereomers 14a,b (and 15a,b). PGSE diffusion data for these salts are reported.

  DOI：

  10.1021/om700299b