MoO(diphenyldithiophosphinato)2 | 59796-76-8

• 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: MoO(diphenyldithiophosphinato)2
• CAS: 59796-76-8
• 化学式: C₂₄H₂₀MoOP₂S₄
• 分子量: 610.574
• InChiKey: SBOBIKFQZKLIAS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.34
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  potassium hydrotris[3-isopropyl-1H-pyrazolyl]borate 、 MoO(diphenyldithiophosphinato)2 以 not given 为溶剂， 生成 (hydrobis(3-isopropylpyrazol-1-yl)(5-isopropylpyrazol-1-yl)borate)Mo(IV)O(S2PPh2-S,S') 、 (hydridotris(3-isopropylpyrazolyl)borate)MoO(S2PPh2)
  参考文献：
  名称：

  Synthesis and Characterization of Tp^iPrMoO(S₂PR₂) (R = Prⁱ, Ph, OEt, OPrⁱ, (−)-Mentholate) and {HB(OMe)(Prⁱpz)₂}MoO(S₂PPrⁱ₂), Including Isomers of Known 1,2-Borotropically-Shifted Complexes

  摘要：

  Green/blue Tp(iPr)MoO(S2PR2) (Tp(iPr) = hydrotris(3-isopropylpyrazolyl)borate; R = Pr-i Ph, OEt, OPri (-)-mentholate) complexes were synthesized and characterized by elemental analysis, mass spectrometry, IR and NMR spectroscopy, and X-ray crystallography. The diamagnetic, six-coordinate, oxo-Mo(IV) complexes possess distorted octahedral geometries defined by terminal oxo, bidentate dithio acid, and tridentate Tp(iPr) ligands. The R = Pri and Ph derivatives are isomers of previously reported 1,2-borotropically shifted complexes, Tp(iPr)* MoO(S2PR2) (Tp(iPr)* = hydrobis(3-isopropylpyrazolyl)(5-isopropylpyrazolyl)borate; ref: Inorg. Chem. 1996, 35, 5368). Conversion of Tp(iPr)MoO (S2PPh2) into Tp(iPr)*MoO(S2PPh2) at elevated temperatures (>80 degrees C) showed that the borotropically shifted isomer was thermodynamically more stable than the unshifted species. Reaction with methanol converts Tp(iPr)MoO(S2PPr2i) into {HB(OMe)(Pr(i)pz)(2))MoO(S2PPr2i) (Pr(i)pz = 3-isopropylpyrazolyl), which was characterized by spectroscopic and crystallographic methods.

  DOI：

  10.1021/ic8015518
• 作为产物：
  描述：

  MoO₂(diphenyldithiophosphinato)2 、 以 二氯甲烷 为溶剂， 生成 MoO(diphenyldithiophosphinato)2
  参考文献：
  名称：

  Chou; Maatta, Eric A., Inorganic Chemistry, 1984, vol. 23, # 18, p. 2912 - 2914

  摘要：

  DOI：