Mo(N(2,6-diisopropylphenyl)){OCMe(CF3)2}2(C4H8) | 135832-13-2

• 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: Mo(N(2,6-diisopropylphenyl)){OCMe(CF3)2}2(C4H8)
• CAS: 135832-13-2
• 化学式: C₂₄H₃₁F₁₂MoNO₂
• 分子量: 689.436
• InChiKey: UCZPRLDFQYGLEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  40.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  30.82
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  {(neopentylidene)(2,6-diisopropylphenylimido)((OC(CH3)(CF3)2)2) molybdenum} 、 乙烯 以 氘代甲苯 为溶剂， 生成 Mo(N(2,6-diisopropylphenyl)){OCMe(CF3)2}2(C4H8)
  参考文献：
  名称：

  Reduction of molybdenum imido-alkylidene complexes in the presence of olefins to give molybdenum(IV) complexes

  摘要：

  Mo(CH-t-Bu)(NAr)[OCMe(CF3)2]2 (1a) (Ar = 2,6-diisopropylphenyl) reacts with excess vinyltrimethylsilane to give Mo(NAr)[OCMe(CF3)2]2(CH2 = CHSiMe3) (2). Complex 2 reacts with trimethylphosphine, 2-butyne, and excess ethylene to give Mo(NAr)[OCMe(CF3)2]2(PMe3)2 (3), Mo(NAr)[OCMe(CF3)2]2(MeC = CMe) (4), or Mo(NAr)[OCMe(CF3)2]2(C4H8) (8), respectively. Complex 4 reacts with PMe3 to give Mo(NAr)[OCMe(CF3)2]2(MeC = CMe)(PMe3) (5), and 8 reacts with PMe3 to give Mo(NAr)(OCMe(CF3)2]2(CH2 = CH2)(PMe3) (9). Metallacycle Mo(CH2CH2CH2)(NAr)[OCMe(CF3)2]2 (6) decomposes in the presence of excess ethylene to form 8 and reacts with trimethylphosphine to give Mo(CH2)(NAr)[OCMe(CF3)2]2(PMe3) (7). Mo(CH-t-Bu)(NAr)(O-t-Bu)2 (1b) reacts with excess ethylene to give Mo(CH2CH2CH2)(NAr)(O-t-Bu)2 (10), which reacts with trimethylphosphine to give Mo(CH2)(NAr)(O-t-Bu)2(PMe3) (11). 10 decomposes to [Mo(NAr)(O-t-Bu)2]2 (12; C2/c, a = 14.772 (6) angstrom, b = 15.470 (4) angstrom, c = 10.625 (8) angstrom, beta = 104.62 (3)-degrees, Z = 4, M(r) = 834.88, rho = 1.276 g/cm3, mu = 5.99 cm-1, R1 = 0.035, R2 = 0.047). 12 is an imido-bridged dimer that is believed to form upon coupling of methylene ligands in two Mo(NAr)(CH2)(O-t-Bu)2 complexes.

  DOI：

  10.1021/om00054a068