2,5-diphenylcyclopentadiene | 57496-95-4

• 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: 2,5-diphenylcyclopentadiene
• 英文别名: (3-Phenylcyclopenta-1,4-dien-1-yl)benzene
• CAS: 57496-95-4
• 化学式: C₁₇H₁₄
• 分子量: 218.298
• InChiKey: RFHCXPYNBCYGGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 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：

  2,5-diphenylcyclopentadiene 、 thallium (I) ethoxide 以 四氢呋喃 为溶剂， 以80%的产率得到1,3-diphenylcyclopentadienylthallium
  参考文献：
  名称：

  Die 1,3-diphenylcyclopentadienylkomplexe von Natrium, Indium(I), Thallium(I) und Eisen(II): Röntgenstrukturanalyse von Tl(C5H3Ph2)(THF) und Fe(C5H3Ph2)2

  摘要：

  1,4-Diphenylcyclopentadiene (1) reacts with TlOC2H5 or NaNH2 to give the corresponding half-sandwich complexes Na(C(5)H(3)Ph(2)) (2) and Tl(C(5)H(3)Ph(2)) (4). 2 reacts with InCl to form In(C(5)H(3)Ph(2)) (3), and 2 as well as 4 react with FeCl2 to form Fe(C(5)H(3)Ph(2))(2) (5). The H-1, C-13 NMR and mass spectra of the new compounds, as well as the X-ray crystal structure analyses of 4 and 5, are reported and discussed.

  DOI：

  10.1016/0022-328x(94)05098-v

文献信息

• Rhodium‐Catalyzed Benzylic Addition Reactions of Alkylarenes to Michael Acceptors
  作者：Yuntong Li、Wen‐Qiang Wu、Hui Zhu、Qi‐Kai Kang、Lun Xu、Hang Shi

  DOI：10.1002/anie.202207917

  日期：2022.8.26

  A rhodium catalyzed benzylic C(sp3)− C(sp3) bond formation with Michael acceptors was achieved. The catalyst is proposed to activate the aromatic ring via η6-coordination, dramatically facilitating benzylic deprotonation and addition of the resulting carbanion to the electrophile in the absence of a base. This byproduct-free method features a wide scope of alkylarenes bearing primary, secondary, or

  实现了与迈克尔受体形成铑催化的苄基 C(sp 3 )-C(sp 3 ) 键。该催化剂被提议通过 η 6 -配位活化芳环，显着促进苄基去质子化和在没有碱的情况下将所得碳负离子加成到亲电子试剂中。这种无副产物的方法具有范围广泛的带有伯、仲或叔苄基 C-H 键的烷基芳烃。
• Die 1,3-diphenylcyclopentadienylkomplexe von Natrium, Indium(I), Thallium(I) und Eisen(II): Röntgenstrukturanalyse von Tl(C5H3Ph2)(THF) und Fe(C5H3Ph2)2
  作者：Herbert Schumann、Alexander Lentz、Roman Weimann

  DOI：10.1016/0022-328x(94)05098-v

  日期：1995.2

  1,4-Diphenylcyclopentadiene (1) reacts with TlOC2H5 or NaNH2 to give the corresponding half-sandwich complexes Na(C(5)H(3)Ph(2)) (2) and Tl(C(5)H(3)Ph(2)) (4). 2 reacts with InCl to form In(C(5)H(3)Ph(2)) (3), and 2 as well as 4 react with FeCl2 to form Fe(C(5)H(3)Ph(2))(2) (5). The H-1, C-13 NMR and mass spectra of the new compounds, as well as the X-ray crystal structure analyses of 4 and 5, are reported and discussed.