[(C2H5)3NH][cis-Mo(CO)4(2,2'-C12H8O2PO)(2,2'-C12H8O2POH)]] | 724461-46-5

• 英文名称: [(C2H5)3NH][cis-Mo(CO)4(2,2'-C12H8O2PO)(2,2'-C12H8O2POH)]]
• CAS: 724461-46-5；725233-72-7
• 化学式: C₆H₁₅N*C₂₈H₁₈MoO₁₀P₂
• 分子量: 773.524
• InChiKey: MGXVNTZYSGEOHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  水 、 三乙胺 、 cis-bis((2,2'-biphenylylene)phosphochloridite ester)tetracarbonylmolybdenum(0) 以 四氢呋喃 为溶剂， 以87%的产率得到[(C2H5)3NH][cis-Mo(CO)4(2,2'-C12H8O2PO)(2,2'-C12H8O2POH)]]
  参考文献：
  名称：

  Unusual Hydrolysis Reactions of cis-Bis((2,2‘-biphenylylene)phosphochloridite ester)tetracarbonylmolybdenum(0)

  摘要：

  The hydrolysis of cis-Mo(CO)(4)(2,2'-C12H8O2PCl)(2) (1) in the presence of excess triethylamine and water yields [(C2H5)(3)NH](2)[CiS-Mo(CO)(4)(2,2'-C12H8O2PO)(2)] (2). This complex is in equilibrium with [(C2H5)(3)NH] [cis-Mo(CO)(4)(2,2'-C12H8O2PO)(2,2'-C12H8O2POH)] (3) and free triethylamine in solution. The hydrolysis of 1 with a stoichiometric amount of triethylamine and water yields only 3. A Scatchard plot for the reaction of 3 and triethylamine to form 2 at 25 degreesC gives an equilibrium constant of 5.8 x 10(-3) for the reaction. Fitting the variable-temperature P-31{H-1} NMR spectra of a CD2Cl2 solution of 3 and 0.5 equiv of triethylamine using the gNMR program gives an activation energy of 47.4 kJ/mol for the reaction. The diastereomers of 3 crystallize with very different morphologies, allowing the X-ray crystal structures of both enantiomers to be determined. The 3R*R* diastereomer crystallizes in the noncentrosymmetric P2(1)2(1)2(1) space group, but the 3R*S* diastereomer crystallizes in the centrosymmetric P2(1)/c space group. The most interesting feature of the structures of 3R*R* and 3R*S* is the strong, intramolecular hydrogen bonding between the 2,2'-C12H8O2POH and 2,2'-C12H8O2PO- ligands that result in short O-O distances in both enantiomers (2.520(6) Angstrom in 3R*R* and 2.373(11) Angstrom in 3R*S*). The hydrogen bonding in both diastereomers is asymmetric, in contrast to previous speculation in the literature.

  DOI：

  10.1021/om049851w