2,6-dimethyl-3,5-diphenylcyclohexa-2,5-diene-1,4-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,6-dimethyl-3,5-diphenylcyclohexa-2,5-diene-1,4-dione
• 英文别名: 2,6-dimethyl-3,5-diphenyl-1,4-benzoquinone
• 化学式: C₂₀H₁₆O₂
• 分子量: 288.346
• InChiKey: DSFVQFTXBBVOBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,6-diphenyl-3,5-dimethylcyclohex-2-enone 在 palladium on activated charcoal 氧气 、 copper(l) chloride 作用下， 以 melt 、 various solvent(s) 为溶剂， 生成 2,6-dimethyl-3,5-diphenylcyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  Synthesis and rotational properties of a series of polyaromatic clefts

  摘要：

  A series of molecular clefts containing convergent functional groups has been developed. The rotational processes occurring within these molecules have been investigated by dynamic NMR experiments and these results are compared with those obtained from molecular modelling.

  DOI：

  10.1016/s0040-4039(00)73499-x

文献信息

• Rhodium-Catalyzed [2+2+1+1] Cyclocarbonylative Coupling of Alkynes with Carbon Monoxide Affording Tetrasubstitutedp-Benzoquinones
  作者：Qiufeng Huang、Ruimao Hua

  DOI：10.1002/chem.200700839

  日期：2007.10.5

  In this strategy, the tetrasubstituted benzoquinones have been prepared directly by a [2+2+1+1] cyclocarbonylative coupling reaction of internal alkynes with CO in the presence of [RhCl(CO)2]2. The low concentration of CO in the reaction is the crucial point for the chemoselective formation of tetrasubstituted benzoquinones in good to high yields. Functional groups such as chloro, methoxy, cyano, vinyl

  在这种策略中，四取代的苯醌是通过在[RhCl（CO）2] 2存在下内部炔烃与CO的[2 + 2 + 1 + 1]环羰基偶联反应直接制备的。反应中低浓度的CO是以良好或高收率化学选择性形成四取代苯醌的关键点。在反应条件下可耐受的官能团如氯，甲氧基，氰基，乙烯基，氟和羧酸根。
• The rhodium-catalyzed Pauson–Khand reaction
  作者：Toshitake Kobayashi、Yuji Koga、Koichi Narasaka

  DOI：10.1016/s0022-328x(00)00835-4

  日期：2001.4

  A rhodium carbonyl complex, [RhCl(CO)(2)](2), serves as a catalyst of the intra- and inter-molecular Pauson-Khand reaction. By the use of the rhodium catalyst, cyclopentenone derivatives are prepared from various 1,6- and 1,7-enynes under 1 arm of CO. Furthermore, this rhodium-catalyzed reaction is accelerated by reducing partial pressure of CO to less than 1 atm. (C) 2001 Elsevier Science B.V. All rights reserved.
• BANNIKOV G. F.; NIKIFOROV G. A.; IONGE K.; ERSHOV V. V., IZV. AN CCCP. CEP. XIM., 1980, HO 8, 1922-1925
  作者：BANNIKOV G. F.、 NIKIFOROV G. A.、 IONGE K.、 ERSHOV V. V.

  DOI：——

  日期：——
• Synthesis and rotational properties of a series of polyaromatic clefts
  作者：Amalia Galán、Andrew J. Sutherland、Pablo Ballester、Julius Rebek

  DOI：10.1016/s0040-4039(00)73499-x

  日期：1994.7

  A series of molecular clefts containing convergent functional groups has been developed. The rotational processes occurring within these molecules have been investigated by dynamic NMR experiments and these results are compared with those obtained from molecular modelling.