| 195261-78-0

• CAS: 195261-78-0
• 化学式: C₆₃H₅₇O₂P₂Pd*F₆P
• 分子量: 1159.48
• InChiKey: XTJRSPMTKKTRKU-UHFFFAOYSA-N

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：

  thallium(I) hexafluorophosphate 、 [Pd(μ-Cl)(η(3)-C19H25O2)]2 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Palladium−Allyl Complexes Based on 3,17-Dioxo-4-androstene. The Solid-State Structure of [Pd(η³-C₁₉H₂₉O₂)(R-Binap)]PF₆

  摘要：

  Several pi-allyl compounds of the form [Pd(eta(3)-C19H29O2)(bidentate)](anion), derived from 3,17-dioxo-4-androstene, have been prepared (bidentate = R-Binap, 3a; S,S-Chiraphos, 3b; (6'6-dimethoxybiphenyl-2,2'-diyl)bis(3,5-di-tert-butylphenylphosphine), MeO-Biphep, 3c; the P,S-chelate (2,3,4,6-tetra-O-acetyl-1-(2-diphenylphosphino)benzylthio)-beta-D-glucopyranose), 7, phenanthroline, 8, and neocuproin, 9). The solid-state structure of [Pd(eta(3)-C19H29O2)(R-Binap)]PF6 has been determined by X-ray diffraction methods. It is suggested that 3a (and presumably other relatively large allyl complexes) accommodates the two large ligands by both hinging the allyl plane away from the Binap and rotating the allyl ligand. Selected aspects of the solution dynamics for 3a, 3c, and 9 have been followed by NOESY methods. Allyl C-13 NMR data are reported for the complexes.

  DOI：

  10.1021/om9703245