[(η(5)-C5H4CO2Me)2Mo2(μ-PPh2)2(CO)2] | 196105-41-6

• 英文名称: [(η(5)-C5H4CO2Me)2Mo2(μ-PPh2)2(CO)2]
• CAS: 196105-41-6
• 化学式: C₄₀H₃₄Mo₂O₆P₂
• 分子量: 864.534
• InChiKey: VNQNLXUQYPRPBS-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

• 作为反应物：
  描述：

  [(η(5)-C5H4CO2Me)2Mo2(μ-PPh2)2(CO)2] 在 air 作用下， 以 甲苯 为溶剂， 以71%的产率得到cis-[(η(5)-C5H4CO2Me)2Mo2(μ-PPh2)2(CO)(O)]
  参考文献：
  名称：

  The reactivity of a bis(μ-diphenylphosphido) dicyclopentadienyl dimolybdenum complex with an electron withdrawing ring substituent

  摘要：

  The synthesis of [(eta(5)-C5H4CO2Me)(2)Mo-2(CO)(6)] (1), a bis(cyclopentadienyl) dimolybdenum complex with an electron withdrawing ring substituent, from the reaction of Mo(CO)(6) and [Na(C5H4CO2Me)] is described. Complex 1 reacts thermally with P2Ph4 to form the bis(mu-diphenylphosphido) complex [(eta(5)-C5H4CO2Me)(2)Mo-2(mu-PPh2)(2)(CO)(2)] (2). Air oxidation of 2 gives trans-[(eta 5-C5H4CO2Me)(2)-Mo-2(mu-PPh2)(2)(O)(CO)] (3a) and the corresponding cis-isomer 3b. The reactions of 3a and of the corresponding unsubstituted cyclopentadienyl complex [(eta(5)-C5H5)(2)Mo-2(mu-PPh2)(2)(O)(CO)] (4) with [NO] [BF4], which yield respectively the nitrosyl substituted dimolybdenum complexes [(eta(5)-C5H4CO2Me)(2)Mo-2(mu-PPh2)(2)(O)(NO)][BF4] (5) and [(eta(5)-C5H5)(2)Mo-2(mu-PPh2)(2)(O)(NO)][BF4] (6), are described. Single crystal X-ray diffraction was used to determine the molecular structures of 1 (which crystallises in the monoclinic space group P2(1)/c with a=9.811 (4), b=12.109 (2), c=9.919 (3) Angstrom, beta=110.00 (3)degrees and Z=2), 2 (which crystallises in the triclinic space group P (1) over bar, a=13.364 (4), b=14.535 (4), c=10.576 (2) Angstrom, alpha=91.33 (2), beta=94.94 (2) gamma=108.92 (2)degrees and Z=2) and 3a (which crystallises in the monoclinic space group P2(1)/c with a=12.436 (2), b=15.300 (3), c=20.395 (4) Angstrom, beta=111.59 (3)degrees and Z=4).

  DOI：

  10.1016/s0020-1693(97)05490-x
• 作为产物：
  描述：

  [(η(5)-C5H4CO2Me)2Mo2(CO)6] 、 二苯基氯化膦 、 二苯基膦 以 甲苯 为溶剂， 以63%的产率得到[(η(5)-C5H4CO2Me)2Mo2(μ-PPh2)2(CO)2]
  参考文献：
  名称：

  The reactivity of a bis(μ-diphenylphosphido) dicyclopentadienyl dimolybdenum complex with an electron withdrawing ring substituent

  摘要：

  The synthesis of [(eta(5)-C5H4CO2Me)(2)Mo-2(CO)(6)] (1), a bis(cyclopentadienyl) dimolybdenum complex with an electron withdrawing ring substituent, from the reaction of Mo(CO)(6) and [Na(C5H4CO2Me)] is described. Complex 1 reacts thermally with P2Ph4 to form the bis(mu-diphenylphosphido) complex [(eta(5)-C5H4CO2Me)(2)Mo-2(mu-PPh2)(2)(CO)(2)] (2). Air oxidation of 2 gives trans-[(eta 5-C5H4CO2Me)(2)-Mo-2(mu-PPh2)(2)(O)(CO)] (3a) and the corresponding cis-isomer 3b. The reactions of 3a and of the corresponding unsubstituted cyclopentadienyl complex [(eta(5)-C5H5)(2)Mo-2(mu-PPh2)(2)(O)(CO)] (4) with [NO] [BF4], which yield respectively the nitrosyl substituted dimolybdenum complexes [(eta(5)-C5H4CO2Me)(2)Mo-2(mu-PPh2)(2)(O)(NO)][BF4] (5) and [(eta(5)-C5H5)(2)Mo-2(mu-PPh2)(2)(O)(NO)][BF4] (6), are described. Single crystal X-ray diffraction was used to determine the molecular structures of 1 (which crystallises in the monoclinic space group P2(1)/c with a=9.811 (4), b=12.109 (2), c=9.919 (3) Angstrom, beta=110.00 (3)degrees and Z=2), 2 (which crystallises in the triclinic space group P (1) over bar, a=13.364 (4), b=14.535 (4), c=10.576 (2) Angstrom, alpha=91.33 (2), beta=94.94 (2) gamma=108.92 (2)degrees and Z=2) and 3a (which crystallises in the monoclinic space group P2(1)/c with a=12.436 (2), b=15.300 (3), c=20.395 (4) Angstrom, beta=111.59 (3)degrees and Z=4).

  DOI：

  10.1016/s0020-1693(97)05490-x