| 205999-28-6

• CAS: 205999-28-6；496047-21-3
• 化学式: C₁₉H₁₅O₆PW
• 分子量: 554.148
• InChiKey: QCCMIUBNUVPIHH-VFKYITQISA-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：

  (R)-(-)-(o-anisyl)(methyl)phenylphosphine/borane complex 、 piperazinepentacarbonyltungsten 以 not given 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Phosphine Boranes in Coordination Chemistry:  An Efficient Method for the Synthesis of Chiral and Achiral Organophosphorus Pentacarbonyltungsten Complexes

  摘要：

  Organophosphorus boranes 1-6 and amine pentacarbonyltungsten complexes 14-20 react under mild conditions, to afford by Ligand exchange the corresponding W(CO)(5)(PR3) 21-26 derivatives in 63-92% yields. The use of piperazine 13 as a diamine tungsten substituent permits a tandem reaction which removes the borane group and leads to the formation of the corresponding organophosphorus tungsten complex. The stereochemistry of the formation of pentacarbonyltungsten complexes from tertiary chiral organophosphorus borane compounds proceeds with a high stereoselectivity and retention of configuration at the chiral P center.

  DOI：

  10.1021/ic980004t

文献信息

• Configurational Stability of Chlorophosphines
  作者：Stéphane Humbel、Cyrille Bertrand、Christophe Darcel、Christophe Bauduin、Sylvain Jugé

  DOI：10.1021/ic026128u

  日期：2003.1.1

  The configurational stability of chlorophosphines is investigated. Several mechanisms involving chlorophosphine monomer, dimers, and adducts with HCl are evaluated by density functional theory calculations. The presence of HCl in the medium is found to catalyze the P-center chiral inversion at room temperature. The reaction involves a two-step mechanism with low transition states (10 kcal.mol-1) and

  研究了氯膦的构型稳定性。通过密度泛函理论计算评估了涉及氯膦单体，二聚体和与HCl加成的几种机理。发现在介质中存在HCl可以在室温下催化P中心手性转化。该反应涉及具有低过渡态（10 kcal.mol-1）和稳定的非手性中间体（-2.6 kcal.mol-1）的两步机理。关于与HBr进行卤素交换的进一步计算和实验证实了这一机理，其中溴化膦即刻形成。最后，为了避免外消旋作用，发现硼烷是P-手性氯膦的构型稳定性非常有希望的保护基。