fac-molybdenum(CO)3(bis-(1,2-diphenylphosphino)ethane)(η-C60) | 204719-21-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: fac-molybdenum(CO)3(bis-(1,2-diphenylphosphino)ethane)(η-C60)
• 英文别名: fac-Mo(CO)3(bis(1,2-diphenylphosphino)ethane)(η(2)-C60)；carbon monoxide;2-diphenylphosphanylethyl(diphenyl)phosphane;(C60-Ih)[5,6]fullerene;molybdenum
• CAS: 204719-21-1
• 化学式: C₈₉H₂₄MoO₃P₂
• 分子量: 1299.06
• InChiKey: ORHQFCBDXFHOSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.87
• 重原子数：
  95
• 可旋转键数：
  7
• 环数：
  36.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  fac-molybdenum(CO)3(bis-(1,2-diphenylphosphino)ethane)(η-C60) 、 乙腈 以 氯苯 为溶剂， 以84%的产率得到Acetonitrile;carbon monoxide;2-diphenylphosphanylethyl(diphenyl)phosphane;molybdenum
  参考文献：
  名称：

  The chemical reactivity of fullerene C60 towards fac-Mo(CO)3 (MeCN)(dppe) and Mo(CO)4(dppe). Synthesis, characterization and reactions of the novel fullerene molybdenum derivative fac-Mo(CO)3(dppe)(η2-C60)

  摘要：

  The acetonitrile ligand of fac-Mo(CO)(3)(MeCN)(dppe)[dppe = bis-(1,2-diphenylphosphino)ethane] can be easily replaced by fullerene C-60 in chlorobenzene at about 80 degrees C to give exclusively fac-Mo(CO)(3)(dppe>(eta(2)-C-60), whereas fullerene C-60 reacted with Mo(CO)(4)(dppe) in refluxing chlorobenzene to afford an isomeric mixture of fac- and mer-Mo(CO)(3)(dppe)(eta(2)-C-60). These organomolybdenum C-60 derivatives were characterized by elemental analysis and spectroscopic techniques. In addition, the eta(2)-C-60 ligand in fac-Mo(CO)(3)(dppe)(eta(2)-C-60) was also found to be easily displaced by MeCN, PPh3 or pyridine to give corresponding fac-organomolybdenum complexes. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(97)00370-7
• 作为产物：
  描述：

  Acetonitrile;carbon monoxide;2-diphenylphosphanylethyl(diphenyl)phosphane;molybdenum 、 足球烯 以 氯苯 为溶剂， 以84%的产率得到fac-molybdenum(CO)3(bis-(1,2-diphenylphosphino)ethane)(η-C60)
  参考文献：
  名称：

  The chemical reactivity of fullerene C60 towards fac-Mo(CO)3 (MeCN)(dppe) and Mo(CO)4(dppe). Synthesis, characterization and reactions of the novel fullerene molybdenum derivative fac-Mo(CO)3(dppe)(η2-C60)

  摘要：

  The acetonitrile ligand of fac-Mo(CO)(3)(MeCN)(dppe)[dppe = bis-(1,2-diphenylphosphino)ethane] can be easily replaced by fullerene C-60 in chlorobenzene at about 80 degrees C to give exclusively fac-Mo(CO)(3)(dppe>(eta(2)-C-60), whereas fullerene C-60 reacted with Mo(CO)(4)(dppe) in refluxing chlorobenzene to afford an isomeric mixture of fac- and mer-Mo(CO)(3)(dppe)(eta(2)-C-60). These organomolybdenum C-60 derivatives were characterized by elemental analysis and spectroscopic techniques. In addition, the eta(2)-C-60 ligand in fac-Mo(CO)(3)(dppe)(eta(2)-C-60) was also found to be easily displaced by MeCN, PPh3 or pyridine to give corresponding fac-organomolybdenum complexes. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(97)00370-7

文献信息

• The chemical reactivity of fullerene C60 towards fac-Mo(CO)3 (MeCN)(dppe) and Mo(CO)4(dppe). Synthesis, characterization and reactions of the novel fullerene molybdenum derivative fac-Mo(CO)3(dppe)(η2-C60)
  作者：Li-Cheng Song、Ying-Huai Zhu、Qing-Mei Hu

  DOI：10.1016/s0277-5387(97)00370-7

  日期：1998.1

  The acetonitrile ligand of fac-Mo(CO)(3)(MeCN)(dppe)[dppe = bis-(1,2-diphenylphosphino)ethane] can be easily replaced by fullerene C-60 in chlorobenzene at about 80 degrees C to give exclusively fac-Mo(CO)(3)(dppe>(eta(2)-C-60), whereas fullerene C-60 reacted with Mo(CO)(4)(dppe) in refluxing chlorobenzene to afford an isomeric mixture of fac- and mer-Mo(CO)(3)(dppe)(eta(2)-C-60). These organomolybdenum C-60 derivatives were characterized by elemental analysis and spectroscopic techniques. In addition, the eta(2)-C-60 ligand in fac-Mo(CO)(3)(dppe)(eta(2)-C-60) was also found to be easily displaced by MeCN, PPh3 or pyridine to give corresponding fac-organomolybdenum complexes. (C) 1998 Elsevier Science Ltd. All rights reserved.