bis(2,6-dimethyl-4-bromophenyl)phosphoric acid | 1610061-17-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: bis(2,6-dimethyl-4-bromophenyl)phosphoric acid
• 英文别名: Bis(4-bromo-2,6-dimethylphenyl) hydrogen phosphate；bis(4-bromo-2,6-dimethylphenyl) hydrogen phosphate
• CAS: 1610061-17-0
• 化学式: C₁₆H₁₇Br₂O₄P
• 分子量: 464.09
• InChiKey: ODHZGCRJHSHHGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  bis(2,6-dimethyl-4-bromophenyl)phosphoric acid 、 neodymium(III) nitrate 在 potassium hydroxide 作用下， 以 水 为溶剂， 反应 4.0h， 以93%的产率得到neodymium tris[bis(2,6-dimethyl-4-bromophenyl)phosphate]
  参考文献：
  名称：

  Neodymium tris-diarylphosphates: Systematic study of the structure–reactivity relationship in butadiene and isoprene polymerisation

  摘要：

  The catalytic properties of neodymium tris-phosphates with various diarylphosphate ligands in the stereoregular 1,4-cis-polymerisation of butadiene and isoprene were studied. The considerable variability of the diaryl phosphate structure allowed for the systematic investigation of the dependence of the catalytic properties of neodymium tris-diarylphosphates on the electronic and steric properties of the ligand. Electron-withdrawing substituents (F, Cl, Br) in the aryl moiety increased the catalyst activity of tris-diarylphosphate. Neodymium aryl phosphates containing lipophilic bulky ligands provided the synthesis of polydienes with a monomodal molecular-weight distribution. The optimal catalytic properties demonstrated that the neodymium aryl phosphate prepared from bis(2,6-dimethy1-4-tert-butylpheny1)phosphoric acid showed high activity and ensured a monomodal MWD of polydienes (M-w/M-n similar to 2 for polybutadiene and M-w/M-n similar to 3 for polyisoprene) in various conditions. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.apcata.2014.04.007
• 作为产物：
  描述：

  4-溴-2,6-二甲基苯酚 在 吡啶 、 水 、 三氯氧磷 作用下， 以 丙酮 、 苯 为溶剂， 反应 6.0h， 生成 bis(2,6-dimethyl-4-bromophenyl)phosphoric acid
  参考文献：
  名称：

  Neodymium tris-diarylphosphates: Systematic study of the structure–reactivity relationship in butadiene and isoprene polymerisation

  摘要：

  The catalytic properties of neodymium tris-phosphates with various diarylphosphate ligands in the stereoregular 1,4-cis-polymerisation of butadiene and isoprene were studied. The considerable variability of the diaryl phosphate structure allowed for the systematic investigation of the dependence of the catalytic properties of neodymium tris-diarylphosphates on the electronic and steric properties of the ligand. Electron-withdrawing substituents (F, Cl, Br) in the aryl moiety increased the catalyst activity of tris-diarylphosphate. Neodymium aryl phosphates containing lipophilic bulky ligands provided the synthesis of polydienes with a monomodal molecular-weight distribution. The optimal catalytic properties demonstrated that the neodymium aryl phosphate prepared from bis(2,6-dimethy1-4-tert-butylpheny1)phosphoric acid showed high activity and ensured a monomodal MWD of polydienes (M-w/M-n similar to 2 for polybutadiene and M-w/M-n similar to 3 for polyisoprene) in various conditions. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.apcata.2014.04.007

文献信息

• Neodymium tris-diarylphosphates: Systematic study of the structure–reactivity relationship in butadiene and isoprene polymerisation
  作者：Ilya E. Nifant’ev、Alexander N. Tavtorkin、Sof’ya A. Korchagina、Inna F. Gavrilenko、Nataliya N. Glebova、Nataliya N. Kostitsyna、Vladimir A. Yakovlev、Galina N. Bondarenko、Marina P. Filatova

  DOI：10.1016/j.apcata.2014.04.007

  日期：2014.5

  The catalytic properties of neodymium tris-phosphates with various diarylphosphate ligands in the stereoregular 1,4-cis-polymerisation of butadiene and isoprene were studied. The considerable variability of the diaryl phosphate structure allowed for the systematic investigation of the dependence of the catalytic properties of neodymium tris-diarylphosphates on the electronic and steric properties of the ligand. Electron-withdrawing substituents (F, Cl, Br) in the aryl moiety increased the catalyst activity of tris-diarylphosphate. Neodymium aryl phosphates containing lipophilic bulky ligands provided the synthesis of polydienes with a monomodal molecular-weight distribution. The optimal catalytic properties demonstrated that the neodymium aryl phosphate prepared from bis(2,6-dimethy1-4-tert-butylpheny1)phosphoric acid showed high activity and ensured a monomodal MWD of polydienes (M-w/M-n similar to 2 for polybutadiene and M-w/M-n similar to 3 for polyisoprene) in various conditions. (C) 2014 Elsevier B.V. All rights reserved.