(3-Tert-butylcyclopenta-2,4-dien-1-ylidene)-(2,4,6-tritert-butylphenyl)phosphane | 1206893-07-3

• 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-Tert-butylcyclopenta-2,4-dien-1-ylidene)-(2,4,6-tritert-butylphenyl)phosphane
• CAS: 1206893-07-3
• 化学式: C₂₇H₄₁P
• 分子量: 396.596
• InChiKey: FGSFJLCJVZFKAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 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：

  (3-Tert-butylcyclopenta-2,4-dien-1-ylidene)-(2,4,6-tritert-butylphenyl)phosphane 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Study on Synthesis and Structure of Sterically Demanding 6-Phosphafulvenes

  摘要：

  t-Butylcyclopentadienyllithium was allowed to react with (2,4,6-tri-t-butylphenyl)phosphonous dichloride to afford the corresponding chloro-5-cyclopentadienylchlorophosphine as a mixture of diastereomers, the structure of one of which was determined by X-ray crystallography. The mixture of 5-cyclopentadienylchlorophosphine diastereomers was treated with a base to furnish novel 2-t-butyl-6-(2,4,6-tri-t-butylphenyl)-6-phosphafulvenes, and each geometrical isomer of them was fully characterized by X-ray crystallography. The E/Z ratio of the 6-phosphafulvene obtained was considerably dependent on the diastereomeric ratio of the chlorophosphine precursor.

  DOI：

  10.1080/10426500902718240
• 作为产物：
  描述：

  (3-t-butylcyclopenta-2,4-dienyl)(chloro)(2,4,6-tri-t-butylphenyl)phosphine 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 正己烷 为溶剂， 反应 0.5h， 以35%的产率得到(3-Tert-butylcyclopenta-2,4-dien-1-ylidene)-(2,4,6-tritert-butylphenyl)phosphane
  参考文献：
  名称：

  Study on Synthesis and Structure of Sterically Demanding 6-Phosphafulvenes

  摘要：

  t-Butylcyclopentadienyllithium was allowed to react with (2,4,6-tri-t-butylphenyl)phosphonous dichloride to afford the corresponding chloro-5-cyclopentadienylchlorophosphine as a mixture of diastereomers, the structure of one of which was determined by X-ray crystallography. The mixture of 5-cyclopentadienylchlorophosphine diastereomers was treated with a base to furnish novel 2-t-butyl-6-(2,4,6-tri-t-butylphenyl)-6-phosphafulvenes, and each geometrical isomer of them was fully characterized by X-ray crystallography. The E/Z ratio of the 6-phosphafulvene obtained was considerably dependent on the diastereomeric ratio of the chlorophosphine precursor.

  DOI：

  10.1080/10426500902718240