| 138784-92-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• CAS: 138784-92-6
• 化学式: C₄₂H₃₄Cl₂P₂Pt
• 分子量: 866.665
• InChiKey: GOELZVPUBDVXMA-NOPJFSPJSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  11.15
• 重原子数：
  47.0
• 可旋转键数：
  8.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  膦,1H-茚-1-基二苯基- 、 以 乙醚 、 二氯甲烷 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  （二苯基膦基）茚的两种异构体及其铂（II）配合物的合成

  摘要：

  Deprotonation of indene followed by addition of Ph2PCl yields one isomer of Ph2PC9H7 (1a) which, on standing, converts to a second (1b). The crystal structure of 1b has been determined and reveals that the diphenylphosphino group is attached to an sp2 carbon of the five-membered ring. The compound crystallizes in the monoclinic space group P2(1)/c with a = 8.214 (2) angstrom, b = 16.651 (7) angstrom, c = 11.970 (4) angstrom, beta = 93.37 (2)-degrees, V = 1634.3 (10) angstrom 3, and Z = 4. Least squares refinement converged at R = 0.0456 and R(w) = 0.0415 based on 3280 reflections with F > 4.0-sigma(F). A series of platinum complexes of the type [PtClxMeyL2] (x + y = 2) has been isolated for each isomer. In the complexes of 1a the presence of a chiral carbon in the Ph2PC9H7 ligands results in the formation of two pairs of diastereomers, which could be distinguished by NMR spectroscopy.

  DOI：

  10.1021/om00038a057