2-(di-(2-methoxy-4-chloro-phenyl)-phosphonium)benzenesulfonic acid | 1449700-84-8

• 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-(di-(2-methoxy-4-chloro-phenyl)-phosphonium)benzenesulfonic acid
• 英文别名: 2-Bis(4-chloro-2-methoxyphenyl)phosphanylbenzenesulfonic acid
• CAS: 1449700-84-8
• 化学式: C₂₀H₁₇Cl₂O₅PS
• 分子量: 471.298
• InChiKey: KNQCMJJLHMJIJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  81.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (N,N,N',N'-tetramethylethylenediamine)dimethylpalladium(II) 、 2-(di-(2-methoxy-4-chloro-phenyl)-phosphonium)benzenesulfonic acid 、 水 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以77%的产率得到bis{N,N’-{(κ2-P,O)-2-[di-(2-methoxy-4-chloro-phenyl)-phosphine]benzenesulfonate} palladium(II)-methyl}-N,N,N’,N’-tetramethylethylenediamine dihydrate
  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：

  2-溴-5-氯苯甲醚 在 正丁基锂 、 碘 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 生成 2-(di-(2-methoxy-4-chloro-phenyl)-phosphonium)benzenesulfonic acid
  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