| 181143-75-9

• CAS: 181143-75-9
• 化学式: C₁₂H₁₇MoNO₂P
• 分子量: 337.162
• InChiKey: NFNZNKUKXCPNJV-IDGSXTKZSA-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

• 作为产物：
  描述：

  (dicarbonyl)(cyclopentadienyl)(trimethylphosphine)molybdenum hydride 、 氘代乙腈 、 trityl cation 以 氘代乙腈 为溶剂， 生成
  参考文献：
  名称：

  Hydricities of BzNADH, C₅H₅Mo(PMe₃)(CO)₂H, and C₅Me₅Mo(PMe₃)(CO)₂H in Acetonitrile

  摘要：

  The thermodynamic hydride donor abilities of 1-benzyl-1,4-dihydronicotinamide (BzNADH, 59 +/- 2 kcal/mol), C5H5Mo(PMe3)(CO)(2)H (55 +/- 3 kcal/mol), and C5Me5Mo(PMe3)(CO)(2)H (58 +/- 2 kcal/mol) have been measured in acetonitrile by calorimetric and/or equilibrium methods. The hydride donor abilities of BzNADH and C5H5Mo(PMe3)(CO)2H differ by 13 and 24 kcal/mol, respectively, from those reported previously for these compounds in acetonitrile. These results require significant revisions of the hydricities reported for related NADH analogues and metal hydrides. These compounds are moderate hydride donors as compared to previously determined compounds.

  DOI：

  10.1021/ja038567d