{1,3-bis(diphenylphosphino)propane-κ(2)P,P'}bis(phenylthio-κS)cobalt(II) | 138397-42-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: {1,3-bis(diphenylphosphino)propane-κ(2)P,P'}bis(phenylthio-κS)cobalt(II)
• CAS: 138397-42-9
• 化学式: C₃₉H₃₆CoP₂S₂
• 分子量: 689.788
• InChiKey: GXSXCMMRSVGQII-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.13
• 重原子数：
  44.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  (dppp)CoCl₂ 、 sodium thiophenolate 在 Se 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以65%的产率得到{1,3-bis(diphenylphosphino)propane-κ(2)P,P'}bis(phenylthio-κS)cobalt(II)
  参考文献：
  名称：

  Stereochemistry of mixed thiolate and ditertiary phosphine cobalt(II) complexes. Crystal structures of [Co{Ph2P(CH2)3PPh2}(SPh)2] and [Co{Ph2PCH2CH2P(Ph)CH2CH2PPh2}(SPh)2]

  摘要：

  The complexes [Co(dppp) (SPh)2] [dppp = 1,3-bis(diphenylphosphino)propane] and [Co(bdpp)-(SPh)2] [bdpp = bis(2-diphenylphosphinoethyl)phenylphosphine] were prepared in good yields by treating Co(dppp) Cl2 with NaSPh and elemental selenium in dimethylformamide and by treating CoCl2.6H2O and bdpp in acetonitrile with NaSPh, respectively. The complex [Co(dppp) (SPh)2] crystallizes in the triclinic space group P1BAR, with a = 9.665(2), b = 10.75(1), c = 18.288(2) angstrom, alpha = 102.41 (1), beta = 93.89(1), gamma = 92.40(1)-degrees and Z = 2, whereas the complex [Co(bdpp) (SPh)2] is monoclinic, space group Cc, with a = 16.374(2), b = 26.033(3), c = 10.873(5) angstrom, beta = 117.49(2)-degrees and Z = 4.

  DOI：

  10.1039/dt9910003145