2-[(diphenylphosphoryl)methyl]benzonitrile | 781629-81-0

• 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: 2-[(diphenylphosphoryl)methyl]benzonitrile
• 英文别名: [(Diphenylphosphoryl)methyl]benzonitrile；2-(diphenylphosphorylmethyl)benzonitrile
• CAS: 781629-81-0
• 化学式: C₂₀H₁₆NOP
• 分子量: 317.327
• InChiKey: LOBWFJZTMHCYMA-UHFFFAOYSA-N

物化性质

• 熔点：
  168-169 °C(Solv: benzene (71-43-2); ethanol (64-17-5))
• 沸点：
  473.3±28.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-[(diphenylphosphoryl)methyl]benzonitrile 在 titanium(IV) isopropylate 、 三乙氧基硅烷 作用下， 以 苯 为溶剂， 反应 1.0h， 生成 2-[(diphenylphosphino)metyl]benzenecarbonitrile
  参考文献：
  名称：

  Novel functionalised P-ligands: advances and application

  摘要：

  Novel endo- and exocyclic phosphine ligands possessing different functionalities obtained by reduction of the P=O precursors with desired stereochemistry are discussed. The diastereoselective deoxygenation including the catalytic reduction processes, the factors defining the reactivity and the role of the substituents on the stability of phosphorus atom configuration in a series of 3-aryl-3-phosphabicyclo[3.1.0]hexanes are reported. The complexation features of the ligands with Rh(III) and Pd(II) were examined and Rh(III) complexes were tested in styrene hydroformylation showing the structure-activity dependence. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.09.030
• 作为产物：
  描述：

  二苯基甲氧基膦 、 2-氰基溴苄 以 xylene 为溶剂， 反应 2.0h， 以56.8%的产率得到2-[(diphenylphosphoryl)methyl]benzonitrile
  参考文献：
  名称：

  Phosphorus-substituted carbothioamides

  摘要：

  A facile procedure was developed for the synthesis of phosphorus-substituted carbothioamides by the reaction of the corresponding nitriles with O,O-diisopropyl dithiophosphate in the presence of methanol. The structural features and hydrogen bonding in crystals of structurally different P-thioamides are discussed.

  DOI：

  10.1023/b:rucb.0000037865.24497.d8

文献信息

• US3984399A
  申请人：——

  公开号：US3984399A

  公开（公告）日：1976-10-05