2,2,3,4,5-Pentaphenyl-cyclopenten-(3)-on-(1) | 34759-47-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2,2,3,4,5-Pentaphenyl-cyclopenten-(3)-on-(1)
• 英文别名: 2,2,3,4,5-Pentaphenyl-3-cyclopenten-1-on；2,2,3,4,5-Pentaphenyl-cyclopent-3-en-1-on；2,2,3,4,5-Pentaphenylcyclopent-3-en-1-one；2,2,3,4,5-pentakis-phenylcyclopent-3-en-1-one
• CAS: 34759-47-2
• 化学式: C₃₅H₂₆O
• 分子量: 462.591
• InChiKey: JCHMVORFDDOEHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1,2,3,4,5-pentaphenylcyclopenta-2,4-dien-1-ol 以 various solvent(s) 为溶剂， 生成 2,2,3,4,5-Pentaphenyl-cyclopenten-(3)-on-(1)
  参考文献：
  名称：

  Reactions of polyarylated carbinols. 6. Kinetics of the thermal [1,5] sigmatropic phenyl and para-substituted-phenyl rearrangements in 3,4-bis[p-substituted-phenyl]-1,2,5-triphenyl-2,4-cyclopentadien-1-ols and 1-[p-substituted-phenyl]-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-ols

  摘要：

  DOI：

  10.1021/jo01307a036

文献信息

• A new divalent organoeuropium(II) fluoride and serendipitous discovery of an alkoxide complex from pentaphenylcyclopentadiene precursors
  作者：Angus C. G. Shephard、Aymeric Delon、Rory P. Kelly、Zhifang Guo、Sylviane Chevreux、Gilles Lemercier、Glen B. Deacon、Galina A. Dushenko、Florian Jaroschik、Peter C. Junk

  DOI：10.1071/ch21324

  日期：——

  From the redox-transmetallation protolysis (RTP) reaction of europium metal, Hg(C6F5)2 and pentaphenylcyclopentadiene, we isolated and crystallographically characterised small amounts of the first divalent europium fluoride half-sandwich complex [Eu(C5Ph5)(μ-F)(thf)2]2 (1). Subsequently, a rational synthesis of this complex from in situ formed [EuF2(thf)n] and [Eu(C5Ph5)2] was carried out. In addition

  从铕金属、Hg(C 6 F 5 ) 2和五苯基环戊二烯的氧化还原-金属转移质子分解 (RTP) 反应，我们分离并结晶表征了少量的第一个二价氟化铕半夹心络合物 [Eu(C 5 Ph 5 ) (μ-F)(thf) 2 ] 2 ( 1 )。随后，由原位形成的[EuF 2 (thf) n ]和[Eu(C 5 Ph 5 ) 2 ]对该配合物进行了合理合成。此外，新的二价 Eu 醇盐络合物 [Eu(OC 5 Ph5 *) 2 (thf) 4 ] ( 2 ) (OC 5 Ph 5 * = 2,3,4,5,5 pentaphenylcyclopenta-1,3-dienolate) 通过 X 射线衍射分析鉴定，其中一个有趣的苯基环戊二烯配体发生基团迁移。该配合物来源于C 5 Ph 5 H 原料中的小杂质 1,2,3,4,5-五苯基环戊二烯醇 (C 5 Ph 5 OH)，然后在规模更大。密度泛函理论计算为在
• THE REARRANGEMENT OF THE PENTAPHENYLCYCLOPENTADIENYL CATION¹
  作者：Ronald Breslow、Hai Won Chang

  DOI：10.1021/ja01478a046

  日期：1961.9
• Reactions of polyarylated carbinols. 6. Kinetics of the thermal [1,5] sigmatropic phenyl and para-substituted-phenyl rearrangements in 3,4-bis[p-substituted-phenyl]-1,2,5-triphenyl-2,4-cyclopentadien-1-ols and 1-[p-substituted-phenyl]-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-ols
  作者：Guy B. Oldaker、Thomas A. Perfetti、Michael A. Ogliaruso

  DOI：10.1021/jo01307a036

  日期：1980.9