3-Methyl-1-(2,4,6-triisopropyl-phenyl)-phosphinane | 815617-49-3

• 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: 3-Methyl-1-(2,4,6-triisopropyl-phenyl)-phosphinane
• 英文别名: 3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]phosphinane
• CAS: 815617-49-3
• 化学式: C₂₁H₃₅P
• 分子量: 318.483
• InChiKey: DXYJZHWIEQUUHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.59
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  3-Methyl-1-(2,4,6-triisopropyl-phenyl)-phosphinane 在 双氧水 作用下， 以 氯仿 为溶剂， 以88%的产率得到3-Methyl-1-(2,4,6-triisopropyl-phenoxy)-phosphinane 1-oxide
  参考文献：
  名称：

  Synthesis of 1‐Aryl‐1,2,3,4,5,6‐hexahydrophosphinine 1‐Oxides

  摘要：

  Possibilities for the synthesis of 1-(2,4,6-triisopropylphenyl-) 1,2,3,4,5,6-hexahydrophosphinine oxide (2) have been explored. The trivial method based on the hydrogenation of the corresponding dihydrophosphinine oxides (8a-e) was suitable only for the preparation of hexahydrophosphinine oxides containing a trimethylphenyl or methylphenyl group on the phosphorus atom (9a-c). The triisopropylphenyl product (2) was synthesized by the stepwise reduction of the double bonds of starting material 1. Hence, the ring contraction side reaction, observed during the catalytic hydrogenation, could be eliminated. The unusual reactivity was studied by quantum chemical calculations.

  DOI：

  10.1081/scc-200036618
• 作为产物：
  描述：

  1-Chloro-1,2,3,4,5,6-hexahydro-3-methylphosphinine 1-Oxide 在 苯硅烷 、 magnesium 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.5h， 生成 3-Methyl-1-(2,4,6-triisopropyl-phenyl)-phosphinane
  参考文献：
  名称：

  Synthesis of 1‐Aryl‐1,2,3,4,5,6‐hexahydrophosphinine 1‐Oxides

  摘要：

  Possibilities for the synthesis of 1-(2,4,6-triisopropylphenyl-) 1,2,3,4,5,6-hexahydrophosphinine oxide (2) have been explored. The trivial method based on the hydrogenation of the corresponding dihydrophosphinine oxides (8a-e) was suitable only for the preparation of hexahydrophosphinine oxides containing a trimethylphenyl or methylphenyl group on the phosphorus atom (9a-c). The triisopropylphenyl product (2) was synthesized by the stepwise reduction of the double bonds of starting material 1. Hence, the ring contraction side reaction, observed during the catalytic hydrogenation, could be eliminated. The unusual reactivity was studied by quantum chemical calculations.

  DOI：

  10.1081/scc-200036618