chlorobis[4-methyl-2,6-bis(4-methylphenyl)phenyl]phosphine | 255844-93-0

• 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: chlorobis[4-methyl-2,6-bis(4-methylphenyl)phenyl]phosphine
• 英文别名: Chloro-bis[4-methyl-2,6-bis(4-methylphenyl)phenyl]phosphane
• CAS: 255844-93-0
• 化学式: C₄₂H₃₈ClP
• 分子量: 609.19
• InChiKey: TWRKSQSRJXYIHJ-UHFFFAOYSA-N

物化性质

• 熔点：
  244-246 °C
• 沸点：
  722.7±60.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  chlorobis[4-methyl-2,6-bis(4-methylphenyl)phenyl]phosphine 在 magnesium 作用下， 以 四氢呋喃 为溶剂， 以24%的产率得到3,8-Dimethyl-5-[4-methyl-2,6-bis(4-methylphenyl)phenyl]-6-(4-methylphenyl)benzo[b]phosphindole
  参考文献：
  名称：

  Synthesis, structure, and redox properties of crowded triarylphosphines carrying 2,6-diarylphenyl substituents

  摘要：

  Crowded triarylphosphines carrying 2,6-diarylphenyl and 2,4,6-trialkylphenyl groups were synthesized by the reaction of arylcopper(I) reagent with the chlorophosphines. The triarylphosphines had large bond angles and lengths around the phosphorus and were reversibly oxidized at significantly low potentials. X-ray crystallography of bis(2,4,6-triisopropylphenyl)[4-methyl-2,6-di(1-naphthyl)phenyl]phosphine revealed that two 1-naphthyl groups took anti conformation in the crystal. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.10.084
• 作为产物：
  描述：

  2,6-bis(4-methylphenyl)-4-methyliodobenzene 在 正丁基锂 、 三氯化磷 作用下， 以 正己烷 为溶剂， 以45%的产率得到chlorobis[4-methyl-2,6-bis(4-methylphenyl)phenyl]phosphine
  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