[2,6-Bis(2-methoxyphenyl)-4-methylphenyl]-dichlorophosphane | 255844-92-9

• 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: [2,6-Bis(2-methoxyphenyl)-4-methylphenyl]-dichlorophosphane
• CAS: 255844-92-9
• 化学式: C₂₁H₁₉Cl₂O₂P
• 分子量: 405.26
• InChiKey: DPPNDRHYISWOKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [2,6-Bis(2-methoxyphenyl)-4-methylphenyl]-dichlorophosphane 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 0.5h， 以90%的产率得到
  参考文献：
  名称：

  NOVEL ISOLABLE C,C-DICHLOROPHOSPHAALKENES RP=CCl₂ OWING TO THE USE OF NEW HUGE STABILIZING GROUPS

  摘要：

  Three new C,C-dichlorophosphaalkenes RP=CCl2 18-20 have been synthesized from the corresponding dichlorophosphines RPCl2 11-13. Compounds 18-20 are stabilized owing to the use of thr very bulky new groups R-1 [2,6-bis(4-methylphenyl)-4-methylphenyl] and R-3 [2;6-bis(2-methoxyphenyl)-4-methylphenyl] and the known 2,6-dimesityl-4-methylphenyl (R-2). The compounds with a R-3 group ((RI)-I-3: 4, (RPCl2)-P-3: 13, (RPH2)-P-3: 17 and (RP)-P-3=CCl2: 20) exist in the form of two conformational isomers on the NMR time scale. A H-1 and P-31 NMR dynamic study (for 4 and 13 respectively) allowed the determination of the Delta G* of this phenomenon, respectively 18.5 and 18.2 kcal/mol.

  DOI：

  10.1080/10426509908031627
• 作为产物：
  描述：

  3,5-二溴-4-碘甲苯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 4.5h， 生成 [2,6-Bis(2-methoxyphenyl)-4-methylphenyl]-dichlorophosphane
  参考文献：
  名称：

  NOVEL ISOLABLE C,C-DICHLOROPHOSPHAALKENES RP=CCl₂ OWING TO THE USE OF NEW HUGE STABILIZING GROUPS

  摘要：

  Three new C,C-dichlorophosphaalkenes RP=CCl2 18-20 have been synthesized from the corresponding dichlorophosphines RPCl2 11-13. Compounds 18-20 are stabilized owing to the use of thr very bulky new groups R-1 [2,6-bis(4-methylphenyl)-4-methylphenyl] and R-3 [2;6-bis(2-methoxyphenyl)-4-methylphenyl] and the known 2,6-dimesityl-4-methylphenyl (R-2). The compounds with a R-3 group ((RI)-I-3: 4, (RPCl2)-P-3: 13, (RPH2)-P-3: 17 and (RP)-P-3=CCl2: 20) exist in the form of two conformational isomers on the NMR time scale. A H-1 and P-31 NMR dynamic study (for 4 and 13 respectively) allowed the determination of the Delta G* of this phenomenon, respectively 18.5 and 18.2 kcal/mol.

  DOI：

  10.1080/10426509908031627