2,4-bis[(diphenylphosphoryl)methyl]mesitylene | 950580-98-0

• 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: 2,4-bis[(diphenylphosphoryl)methyl]mesitylene
• 英文别名: 2,4-bis(diphenylphosphorylmethyl)mesitylene；bis(diphenylphosphorylmethyl)mesitylene；2,4-Bis(diphenylphosphorylmethyl)mesitylene；2,4-bis(diphenylphosphorylmethyl)-1,3,5-trimethylbenzene
• CAS: 950580-98-0
• 化学式: C₃₅H₃₄O₂P₂
• 分子量: 548.601
• InChiKey: RZFQGFJRVGURDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-bis[(diphenylphosphoryl)methyl]mesitylene 、 cerium(III) nitrate hexahydrate 以 氯仿 、 乙腈 为溶剂， 生成 Ce(NO3)3(2,4-bis(diphenylphosphorylmethyl)mesitylene)2*4H2O
  参考文献：
  名称：

  2,4-Bis(diphenylphosphorylmethyl)mesitylene: Synthesis and complex formation with lanthanide nitrates. Crystal structure of [Nd(L1(NO3)3 · Me2CO]

  摘要：

  A new bisphosphoryl ligand, 2,4-bis(diphenylphosphorylmethyl)mesitylene (L-1), has been synthesized. Upon the interaction of L-1 with lanthanide nitrates, stable mononuclear chelates [Ln(L-1) (n) (NO3)(3)] (Ln = Ce(III), Nd(III), Er(III); n = 1, 2) were obtained. The structure of the complexes in solid state and in solution was studied by vibrational (IR and Raman) spectroscopy, X-ray diffraction, and conformational (molecular mechanics) analysis.

  DOI：

  10.1134/s003602360611009x
• 作为产物：
  描述：

  二苯基甲氧基膦 、 2,4-二(溴甲基)-1,3,5-三甲基苯 以 xylene 为溶剂， 反应 0.67h， 以80%的产率得到2,4-bis[(diphenylphosphoryl)methyl]mesitylene
  参考文献：
  名称：

  2,4-Bis(diphenylphosphorylmethyl)mesitylene complexes with neodymium nitrate: Synthesis, structure, and dynamic behavior in solutions

  摘要：

  DOI：

  10.1134/s0012500807040052

文献信息

• Structure and dynamic behaviour of lanthanide nitrate complexes with bis(diphenylphosphorylmethyl)mesitylene in solutions: The nature of unexpected 31P NMR spectra
  作者：Anna G. Matveeva、Alexander S. Peregudov、Evgenij I. Matrosov、Zoya A. Starikova、Sergej V. Matveev、Eduard E. Nifant’ev

  DOI：10.1016/j.ica.2009.04.005

  日期：2009.8

  The solution structures of the lanthanide complexes, [Ln(L)(NO3)(3)] and [Ln(L) 2(NO3)(3)], where L = bis(diphenylphosphorylmethyl)mesitylene and Ln = La, Ce, Nd, Er, were investigated by P-31 NMR and IR spectroscopy, conductivity and sedimentation analysis. Variable-temperature P-31H-1} NMR spectroscopy was used to identify species present in solution and to monitor their interconversions. The results indicate that equilibrium between molecular complexes [Ln(L)(n)(NO3)(3)](0) and cationic species (as ion pairs [Ln(L)(n)(NO3)(2)](+) center dot (NO3) and as free ions [Ln(L)(n)(NO3)(2)](+), throughout n = 1, 2) in solutions can be observed by P-31H-1} NMR spectroscopy due to separate detection of the molecular complexes and cationic species. The chelate coordination of the ligand and nitrate ions is retained in all complex species at ambient temperature except for [Er(L)(2)(NO3)(3)]. The crystal structure of [Nd(L)(NO3) 3(MeCN)] MeCN was determined by X-ray diffraction. (C) 2009 Elsevier B. V. All rights reserved.
• 2,4-Bis(diphenylphosphorylmethyl)mesitylene complexes with neodymium nitrate: Synthesis, structure, and dynamic behavior in solutions
  作者：A. G. Matveeva、A. S. Peregudov、E. I. Matrosov、Z. A. Starikova、G. I. Timofeeva、S. V. Matveev、G. V. Bodrin、E. E. Nifant’ev

  DOI：10.1134/s0012500807040052

  日期：2007.4
• 2,4-Bis(diphenylphosphorylmethyl)mesitylene: Synthesis and complex formation with lanthanide nitrates. Crystal structure of [Nd(L1(NO3)3 · Me2CO]
  作者：A. G. Matveeva、E. I. Matrosov、G. V. Bordin、S. V. Matveev、Z. A. Starikova、P. V. Petrovskii、E. E. Nifant’ev

  DOI：10.1134/s003602360611009x

  日期：2006.11

  A new bisphosphoryl ligand, 2,4-bis(diphenylphosphorylmethyl)mesitylene (L-1), has been synthesized. Upon the interaction of L-1 with lanthanide nitrates, stable mononuclear chelates [Ln(L-1) (n) (NO3)(3)] (Ln = Ce(III), Nd(III), Er(III); n = 1, 2) were obtained. The structure of the complexes in solid state and in solution was studied by vibrational (IR and Raman) spectroscopy, X-ray diffraction, and conformational (molecular mechanics) analysis.