2,6-diethyl-4,8-dimethyl-1,5-dihydro-s-indacene | 392245-48-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 2,6-diethyl-4,8-dimethyl-1,5-dihydro-s-indacene
• 英文别名: 2,6-diethyl-4,8-dimethyl-s-indacene；Ic′H₂
• CAS: 392245-48-6
• 化学式: C₁₈H₂₂
• 分子量: 238.373
• InChiKey: XBVMVSYHTLLZRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 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：

  2,6-diethyl-4,8-dimethyl-1,5-dihydro-s-indacene 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成
  参考文献：
  名称：

  Preparation and ESR characterization of polyalkyl-s-indacenyl anion-radicals from polyalkyl-1,5-dilithio-s-indacenes

  摘要：

  Polyalkyl-(or chloropolyalkyl)-s-indacenyl anion radicals were obtained from the organodilithium derivatives of the corresponding substituted-1,5-dihydro-s-indacenes by three different methods: (i) UV photolysis, (ii) oxidation by a ferrocenium salt, (iii) single electron transfer reaction from an electron rich olefin. The last reaction (iii) involves transient formation of an unstable polyalkyl-lithio-s-indacenyl imidazolidinium salt. The same salt, obtained by another way by reacting 1,3-dimethylimidazolidinium chloride with the polyalkyl-1,5-dilithio-s-indacene, also leads to the corresponding lithium polyalkyl-s-indacenyl anion radical. All lithium polyalkyl-s-indacenyl anion radicals studied were characterized from their ESR spectra. They present a characteristic symmetrical spin distribution. On the contrary a Rhodium-COD polyalkyl-s-indacene radical presents a non symmetrical spin distribution. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.10.002

文献信息

• From polysubstituted 1,5-dihydro-s-indacene lithium derivatives to polysubstituted hydro-s-indacenyl radicals by a new method involving a single electron transfer from an electron rich olefin
  作者：N. Katir、P. Rivière、M. Rivière-Baudet、A. Castel、C. Adams、D. MacLeod Carey、P. Aguirre-Etcheverry、I. Chavez、J.M. Manriquez、E. Diaz、M. Dahrouch

  DOI：10.1016/j.ica.2010.05.029

  日期：2010.11

  Abstract Polyalkyl-hydro- s -indacenyl radicals were obtained from the corresponding polyalkyl-hydro- s -indacenylmonolithium derivatives using a monoelectronic transfer from an electron rich olefin: 1,1′,3,3′-tetramethyl-2,2′-bisimidazolidine (ERO). The reaction involves the transient formation of a polyalkyl-hydro- s -indacenylimidazolidinium salt. The same salt was obtained by another way, reacting

  摘要通过从富电子烯烃：1,1'，3,3'-四甲基-2,2'-双亚咪唑烷中进行单电子转移，从相应的聚烷基-s-茚满基单锂衍生物中获得了聚烷基-s-茚满烯基。 （ERO）。该反应涉及聚烷基-氢-s-吲哚基咪唑啉鎓盐的瞬时形成。通过另一种方法，使咪唑啉鎓氯化物与聚烷基-氢-茚并茚基锂反应，获得了相同的盐，并且还生成了相应的聚烷基-氢-茚并茚基。所有研究的聚烷基-氢-s-茚基自由基均表现出不对称的自旋分布，并且在ESR中的超精细偶联小于在类似的芳香族自由基阴离子中通常观察到的偶联。他们是从其二聚产物中鉴定出来的，也可以通过捕获2,4，6-三叔丁基亚硝基苯。还研究了铑配合物自由基类似物。
• Novel mono- and heterobimetallic chromium−nickel <i>s</i>-indacene complexes: synthesis, characterization, and DFT studies
  作者：Cesar Morales-Verdejo、Eduardo Schott、Ximena Zarate、Juan Manuel Manriquez

  DOI：10.1139/cjc-2014-0126

  日期：2014.7

  The preparation of a novel heterobimetallic chromium−nickel compound (3), including 2,6-diethyl-4,8-dimethyl-5-hydroindacenide (IcH′) as bridging ligand was successfully achieved and it was characterized by means of ¹H NMR, ¹³C NMR, and FT-IR spectroscopies and elemental analysis. Cyclic voltammetry studies were performed for complex 3 as well as for its respective mononuclear species. Theoretical calculations of this compound were carried out to gain further understanding of this novel molecular system.

  成功制备了一种新型异双金属铬-镍化合物（3），其中包括2,6-二乙基-4,8-二甲基-5-羟基吲哚酮（IcH'）作为桥联配体，并通过1H NMR、13C NMR和FT-IR光谱以及元素分析进行了表征。对于化合物3及其相应的单核物种进行了循环伏安研究。对该化合物进行了理论计算，以进一步了解这种新型分子系统。
• A new heterobimetallic manganese–rhodium carbonyl complex derived from partially alkylated s-indacene
  作者：César Morales-Verdejo、Luciano Oehninger、Iván Martínez-Díaz、Desmond Mac-Leod Carey、Ramiro Arratia-Pérez、Ivonne Chávez、Juan Manuel Manríquez

  DOI：10.1016/j.ica.2012.08.010

  日期：2013.1

  Abstract This work describes the synthesis and characterization by means of 1H, 13C NMR and FT-IR spectroscopies of new heterobinuclear carbonylated complex derived from partially alkylated s-indacene. The heterobimetallic complex [(CO)3Mn(2,6-diethyl-4,8-dimethyl-s-indaceneiide)Rh(COD)] 1 was synthesized from the monometallic specie [(CO)3Mn(2,6-diethyl-4,8-dimethyl-1-hydroindacenide)] and [Rh(μ-Cl)(COD)]2

  摘要这项工作描述了由1H，13C NMR和FT-IR光谱法合成的由部分烷基化的s-茚并二烯衍生的新的异双核羰基化配合物。杂双金属配合物[（CO）3Mn（2,6-diethyl-4,8-​​dimethyl-s-indaceneide）Rh（COD）] 1由单金属化合物[（CO）3Mn（2,6-diethyl-4）合成，8-二甲基-1-氢化茚二酰亚胺）]和[Rh（μ-Cl）（COD）] 2。其次，通过在己烷中的一氧化碳气氛下获得其各自的羰基化配合物[（CO）3 Mn（2,6-二乙基-4,8-​​二甲基-s-茚二酰亚胺）Rh（CO）2] 2。对这两种化合物进行了理论计算，以进一步了解这些新型分子系统。
• Photophysics of tungsten–benzylidyne complexes derived from s-indacene: synthesis, characterization and DFT studies
  作者：Cesar A. Morales-Verdejo、Ximena Zarate、Eduardo Schott、Sebastián Correa、Iván Martinez-Díaz

  DOI：10.1039/c4ra16874g

  日期：——

  The photophysics of the mono- and homobimetallic complexes of tungsten benzylidyne has been examined by using absorption and emission. Theoretical calculations were carried out to gain further understanding of these novel molecular systems.

  使用吸收和发射来研究钨苯基炔的单金属和同金属配合物的光物理学。进行了理论计算以进一步了解这些新型分子系统。
• Heterobinuclear <i>s</i> ‐Indacene Rhodium Complexes: Synthesis and Characterization
  作者：Christopher Adams、Cesar Morales‐Verdejo、Verónica Morales、Desmond MacLeod‐Carey、Juan Manuel Manríquez、Ivonne Chávez、Alvaro Muñoz‐Castro、Fabien Delpech、Annie Castel、Heinz Gornitzka、Monique Rivière‐Baudet、Pierre Rivière、Elies Molins

  DOI：10.1002/ejic.200800920

  日期：2009.2

  AbstractThe monometallic complexes [Cp*M(2,6‐diethyl‐4,8‐dimethyl‐1‐hydroindacenide)] [M = Fe (1), Ru (2), Co (3)] and the bimetallic species anti‐[Cp*M(2,6‐diethyl‐4,8‐dimethyl‐s‐indacenediide)Rh(η4‐cod)] [M = Fe (4a), Ru (5a), Co (6a)] together with syn‐[Cp*Ru(2,6‐diethyl‐4,8‐dimethyl‐s‐indacenediide)Rh(η4‐cod)] (5b) were synthesized and characterized spectroscopically and in the case of complexes 1 and 5b by X‐ray diffraction. 13C and 103Rh NMR spectroscopic studies suggest that the bonding mode of the rhodium center to the s‐indacenediide ligand can be described as an intermediate between η3‐ and η5‐coordination, but closer to an η3 bonding mode when compared to indenyl–Rh complexes. This result was confirmed by the crystal structure of 5b, as evidenced by the slippage of the rhodium atom towards the periphery of the ligand. Cyclic voltammetry studies revealed intermetallic communication through the fused‐ring ligand exclusively in the cases of 5a and 6a.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)