Methyl-neopentyl-phenyl-phosphin-oxid | 68890-62-0

• 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: Methyl-neopentyl-phenyl-phosphin-oxid
• 英文别名: [2,2-Dimethylpropyl(methyl)phosphoryl]benzene
• CAS: 68890-62-0
• 化学式: C₁₂H₁₉OP
• 分子量: 210.256
• InChiKey: MQBWGGOBXAOQSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  ethyl Phenylphosphinate 、 氯化新戊烷基镁 、 碘甲烷 生成 Methyl-neopentyl-phenyl-phosphin-oxid
  参考文献：
  名称：

  The Influence of Radical Stability of Organomagnesium Halide Reagents on the Direction of Addition to anα-β-Unsaturated Phosphoryl Group

  摘要：

  The addition of Grignard reagents with increasing radical character to alpha,beta-unsaturated phosphoryl groups was found to occur with a corresponding increase in the yield of the aromatic substitution products. Molecular modelling was used to determine that the radical character has a greater role in determining the degree of aromatic substitution than does steric parameters.

  DOI：

  10.1080/00397919308013805

文献信息

• Gatrone Ralph C., Jonson Stephanie D., Synth. Commun, 23 (1993) N 19, S 2743-2751
  作者：Gatrone Ralph C., Jonson Stephanie D.

  DOI：——

  日期：——
• The Influence of Radical Stability of Organomagnesium Halide Reagents on the Direction of Addition to an<i>α-β</i>-Unsaturated Phosphoryl Group
  作者：Ralph C. Gatrone、Stephanie D. Jonson

  DOI：10.1080/00397919308013805

  日期：1993.11

  The addition of Grignard reagents with increasing radical character to alpha,beta-unsaturated phosphoryl groups was found to occur with a corresponding increase in the yield of the aromatic substitution products. Molecular modelling was used to determine that the radical character has a greater role in determining the degree of aromatic substitution than does steric parameters.