lithium-2-(di-(2-methoxy-4-methyl-phenyl)phoshine)benzenesulfonate | 1449700-79-1

• 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: lithium-2-(di-(2-methoxy-4-methyl-phenyl)phoshine)benzenesulfonate
• 英文别名: Lithium;2-bis(2-methoxy-4-methylphenyl)phosphanylbenzenesulfonate
• CAS: 1449700-79-1
• 化学式: C₂₂H₂₂O₅PS*Li
• 分子量: 436.394
• InChiKey: UHSDMLQGEFMHEE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  84
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  chloromethyl(1,5-cyclooctadiene)palladium(II) 、 lithium-2-(di-(2-methoxy-4-methyl-phenyl)phoshine)benzenesulfonate 、 丙酮 以 丙酮 为溶剂， 以81%的产率得到bis{{(κ2-P,O)-2-[di-(2-methoxy-4-methyl-phenyl)phosphine]benzenesulfonate}palladium(II)-methyl-chloro-μ-Li}diacetone
  参考文献：
  名称：

  Electronic Influences in Phosphinesulfonato Palladium(II) Polymerization Catalysts

  摘要：

  To study the influence of electronics on catalytic polymerization properties independent from sterics, phosphinesulfonato Pd(II) complexes bearing remotely located substituents on the nonchelating P-bound aryls [kappa(2)-(P,O)-(4-R-2-anisyl)(2)PC6H4SO2O]Pd(Me)(dmso) (1ae-dmso: 1a, R = CF3; 1b, R = Cl; 1c, R = H; 1d, R = CH3; 1e, R = OCH3) were prepared. The electron-poor complex 1a-dmso (4-CF3) undergoes the fastest insertion of methyl acrylate (MA) and is the most active for ethylene polymerization. The polyethylene molecular weight increases by a factor of 2 for the more electron rich complex 1e-dmso (4-OCH3) (Mn = 17 x 10 (3) vs 8 x 10 (3) for 1a-dmso (4-CF3)). MA/ethylene copolymerization experiments revealed that the MA incorporation ratio and copolymer molecular weights are largely independent of the electronic nature of the remote substituents. These trends were further confirmed by studies of two mixed P-aryl/-alkyl complexes 1f-dmso ([kappa(2)-(2,4,6-(OMe)(3)C6H2)(tBu)PC6H4SO2O]Pd(Me)(dmso)) and 1g-dmso ([?2-(C6H5)(tBu)PC6H4SO2O]Pd(Me)(dmso)). In ethylene/MA copolymerization, 1f-dmso affords a significantly higher molecular weight polymer with reasonable MA incorporation (Mn = 12 x 10 (3) and 7.7 mol % MA) and activities similar to those observed for complexes 1ae-dmso.

  DOI：

  10.1021/om400297x
• 作为产物：
  描述：

  4-溴-3-氟甲苯 以 四氢呋喃 、 乙醚 、 二甲基亚砜 为溶剂， 反应 18.0h， 生成 lithium-2-(di-(2-methoxy-4-methyl-phenyl)phoshine)benzenesulfonate
  参考文献：
  名称：

  Electronic Influences in Phosphinesulfonato Palladium(II) Polymerization Catalysts

  摘要：

  To study the influence of electronics on catalytic polymerization properties independent from sterics, phosphinesulfonato Pd(II) complexes bearing remotely located substituents on the nonchelating P-bound aryls [kappa(2)-(P,O)-(4-R-2-anisyl)(2)PC6H4SO2O]Pd(Me)(dmso) (1ae-dmso: 1a, R = CF3; 1b, R = Cl; 1c, R = H; 1d, R = CH3; 1e, R = OCH3) were prepared. The electron-poor complex 1a-dmso (4-CF3) undergoes the fastest insertion of methyl acrylate (MA) and is the most active for ethylene polymerization. The polyethylene molecular weight increases by a factor of 2 for the more electron rich complex 1e-dmso (4-OCH3) (Mn = 17 x 10 (3) vs 8 x 10 (3) for 1a-dmso (4-CF3)). MA/ethylene copolymerization experiments revealed that the MA incorporation ratio and copolymer molecular weights are largely independent of the electronic nature of the remote substituents. These trends were further confirmed by studies of two mixed P-aryl/-alkyl complexes 1f-dmso ([kappa(2)-(2,4,6-(OMe)(3)C6H2)(tBu)PC6H4SO2O]Pd(Me)(dmso)) and 1g-dmso ([?2-(C6H5)(tBu)PC6H4SO2O]Pd(Me)(dmso)). In ethylene/MA copolymerization, 1f-dmso affords a significantly higher molecular weight polymer with reasonable MA incorporation (Mn = 12 x 10 (3) and 7.7 mol % MA) and activities similar to those observed for complexes 1ae-dmso.

  DOI：

  10.1021/om400297x