dibenzopentafulvalen | 26805-44-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: dibenzopentafulvalen
• 英文别名: s-Dibenzofulvalen；1,1'-bis(indenylidene)；dibenzo[a,d]fulvalene；1-(1H-Inden-1-ylidene)-1H-indene；1-inden-1-ylideneindene
• CAS: 26805-44-7
• 化学式: C₁₈H₁₂
• 分子量: 228.293
• InChiKey: GQUKLRCRWYLZEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  十二羰基三钌 、 dibenzopentafulvalen 以 四氢呋喃 为溶剂， 以0%的产率得到
  参考文献：
  名称：

  Synthesis and Molecular Structure of Two Six-Membered Ru₃C₃ Rings Existing in Boat- and Chairlike Configurations Formed by Insertion of C₉H₆ Units into Metal−Metal Bonds of [Ru₃(CO)₁₂]

  摘要：

  The reaction of diazoindene (C9H6N2) with [Ru-3(CO)(12)] in THF leads to the formation of the clusters [Ru-3(CO)(10)(eta(5):eta(1)-C9H6)] (1), by the insertion of a C9H6 moiety into a Ru-Ru bond, [Ru-3(CO)(8)(eta(5)-C9H6)(2)] (2), a trinuclear complex with an open Ru-3 unit containing the 1,1'-bis(indenylidene) ligand, and two metallacyclic ruthenium trimers of formula [Ru-3(CO)(6)-(eta(5):eta(1)-C9H6)(3)] (3 and 4). The cyclic trimers have stable chair- and twist-boat-like configurations similar to the boat-chair isomerism of cyclohexane. Both complexes are configurational rather than conformational isomers, because the boat-to-chair ring flip is hampered by the rigid nature of the Ru3C3 metallacycle. The structures of 2-4 have been established by X-ray crystallography.

  DOI：

  10.1021/om9600102
• 作为产物：
  描述：

  3,8,11,16-tetrahydrodibenzopentafulvalen 在 氧气 作用下， 以 氯仿 、 正戊烷 为溶剂， 反应 240.0h， 生成 dibenzopentafulvalen
  参考文献：
  名称：

  Nonafulvalen：合成durch氧化Kupplung von Cyclononatetraenid和Valenzisomerisierung †

  摘要：

  壬二烯：环戊四烯氧化合和价异构化的氧化合成

  DOI：

  10.1002/hlca.19870700620

文献信息

• Novel organoiron compounds resulting from the attempted syntheses of dibenzofulvalene complexes
  作者：Brian R. Waldbaum、Robert C. Kerber

  DOI：10.1016/s0020-1693(99)00123-1

  日期：1999.8

  2′-biindenyl with Fe(CO)5 generates (η4-2,2′-biindenyl)Fe(CO)3 and a ferrole isomer of (μ,η3:η3-dibenzo[b,e]fulvalene)Fe2(CO)6. Reaction of the dianion of dibenzo[b,e]fulvalene with iron carbonyls produced a novel cyclized acyliron complex, whose structure was proven by X-ray crystallography; a mechanism is proposed for its formation. Reaction of the same dianion with (η5-cyclopentadienyl)Fe(CO)2Br generated

  以Fe（CO）2,2'- biindenyl的热反应5产生（η 4 -2,2'- biindenyl）的Fe（CO）3和（μ的ferrole异构体，η 3：η 3 -二苯并[b， e]富瓦烯）Fe 2（CO）6。二苯并[b，e]富瓦烯的二价阴离子与羰基铁的反应生成了一种新型的环化酰基丙隆配合物，其结构已通过X射线晶体学证实。提出了一种形成它的机制。用（η相同二价阴离子的反应5 -环戊二烯基）铁（CO）2溴生成另一个新的环状化合物（C 18 H ^ 12）的Fe（CO）2（C 5 H ^ 4），可能是通过η分子内自由基攻击5结合的环戊二烯基环。二苯并治疗并[a，d]富瓦烯为Fe 2（CO）9产生（η 2 -二苯并[a，d]富瓦烯）的Fe（CO）4，（μ，η 2：η 2 -二苯并[a，d]富瓦烯）的Fe 2（CO）8，和与双两种化合物（η 5）的结构。这些似乎有CO和Fe（CO）4个基团插入的活性铁-铁键（μ，η
• Synthesis and Molecular Structure of Two Six-Membered Ru₃C₃ Rings Existing in Boat- and Chairlike Configurations Formed by Insertion of C₉H₆ Units into Metal−Metal Bonds of [Ru₃(CO)₁₂]
  作者：Alejandro J. Arce、Ysaura De Sanctis、Rubén Machado、Jorge Manzur、Mario V. Capparelli

  DOI：10.1021/om9600102

  日期：1996.4.2

  The reaction of diazoindene (C9H6N2) with [Ru-3(CO)(12)] in THF leads to the formation of the clusters [Ru-3(CO)(10)(eta(5):eta(1)-C9H6)] (1), by the insertion of a C9H6 moiety into a Ru-Ru bond, [Ru-3(CO)(8)(eta(5)-C9H6)(2)] (2), a trinuclear complex with an open Ru-3 unit containing the 1,1'-bis(indenylidene) ligand, and two metallacyclic ruthenium trimers of formula [Ru-3(CO)(6)-(eta(5):eta(1)-C9H6)(3)] (3 and 4). The cyclic trimers have stable chair- and twist-boat-like configurations similar to the boat-chair isomerism of cyclohexane. Both complexes are configurational rather than conformational isomers, because the boat-to-chair ring flip is hampered by the rigid nature of the Ru3C3 metallacycle. The structures of 2-4 have been established by X-ray crystallography.
• Nonafulvalen: Synthese durch oxidative Kupplung von Cyclononatetraenid und Valenzisomerisierung
  作者：Andr� Escher、Markus Neuenschwander、Peter Engel

  DOI：10.1002/hlca.19870700620

  日期：1987.9.23

  Nonafulvalene: Synthesis by Oxidative Coupling of Cyclononatetraenide and Valence Isomerisation

  壬二烯：环戊四烯氧化合和价异构化的氧化合成