1,4-bis((Z)-5-phenyl-5-((2,4,6-tri-tert-butylphenyl)phosphinylidene)penta-1,3-diynyl)naphthalene | 1207956-93-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,4-bis((Z)-5-phenyl-5-((2,4,6-tri-tert-butylphenyl)phosphinylidene)penta-1,3-diynyl)naphthalene
• 英文别名: [1-Phenyl-5-[4-[5-phenyl-5-(2,4,6-tritert-butylphenyl)phosphanylidenepenta-1,3-diynyl]naphthalen-1-yl]penta-2,4-diynylidene]-(2,4,6-tritert-butylphenyl)phosphane；[1-phenyl-5-[4-[5-phenyl-5-(2,4,6-tritert-butylphenyl)phosphanylidenepenta-1,3-diynyl]naphthalen-1-yl]penta-2,4-diynylidene]-(2,4,6-tritert-butylphenyl)phosphane
• CAS: 1207956-93-1
• 化学式: C₆₈H₇₄P₂
• 分子量: 953.283
• InChiKey: SWMNPWIZQYCOGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.5
• 重原子数：
  70
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  (1-Phenyl-5-trimethylsilylpenta-2,4-diynylidene)-(2,4,6-tritert-butylphenyl)phosphane 、 1,4-二碘萘 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 4.0h， 以57%的产率得到1,4-bis((Z)-5-phenyl-5-((2,4,6-tri-tert-butylphenyl)phosphinylidene)penta-1,3-diynyl)naphthalene
  参考文献：
  名称：

  Phosphaalkenes in π-Conjugation with Acetylenic Arenes

  摘要：

  Phosphaalkene inclusion at the periphery of acetylenic arenes results in decreased band gaps of the title compounds as verified by spectroscopic and electrochemical techniques. The electronic coupling between two 1-phosphahex-l-ene-3,5-diyne units is mediated by all paral-substituted arenes and Increases from 4b to 4d.

  DOI：

  10.1021/ol902688n

文献信息

• Phosphaalkenes in π-Conjugation with Acetylenic Arenes
  作者：Xue-Li Geng、Qi Hu、Bernhard Schäfer、Sascha Ott

  DOI：10.1021/ol902688n

  日期：2010.2.19

  Phosphaalkene inclusion at the periphery of acetylenic arenes results in decreased band gaps of the title compounds as verified by spectroscopic and electrochemical techniques. The electronic coupling between two 1-phosphahex-l-ene-3,5-diyne units is mediated by all paral-substituted arenes and Increases from 4b to 4d.