2,6-dibutyl-4,8-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene-1,5-dione | 1268257-87-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2,6-dibutyl-4,8-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene-1,5-dione
• 英文别名: 2,6-dibutyl-4,8-dimethyl-2,3,6,7-tetrahydro-s-indacene-1,5-dione；2,6-Dibutyl-4,8-dimethyl-2,3,6,7-tetrahydro-s-indacene-1,5-dione
• CAS: 1268257-87-9
• 化学式: C₂₂H₃₀O₂
• 分子量: 326.479
• InChiKey: JNQHYZGAMGYSIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-dibutyl-4,8-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene-1,5-dione 在 lithium aluminium tetrahydride 、 对甲苯磺酸 作用下， 以 乙醚 、 苯 为溶剂， 反应 5.0h， 生成 2,6-dibutyl-4,8-dimethyl-1,5-dihydro-s-indacene
  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
• 作为产物：
  描述：

  正丁基丙二酸二乙酯 在 sodium 、 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 5.5h， 生成 2,6-dibutyl-4,8-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene-1,5-dione
  参考文献：
  名称：

  Synthesis, characterization, and electrochemical study of diiron organometallic derivatives of 2,6-dibutyl-4,8-dimethyl-1,5-dihydro-s-indacene

  摘要：

  一种新的融合环化合物2,6-二丁基-4,8-二甲基-1,5-二氢-茚烯（VII）（H2L）已经从2,5-二甲基-1,4-二溴甲基苯合成，收率几乎定量。两种有机金属双核配合物，[Cp*Fe-L-FeCp*]（1）和混合价态化合物[Cp*Fe-L-FeCp*]+BF4-（2），已经通过光谱和电化学技术进行表征。1的循环伏安图表现出两个氧化还原峰之间的电位差为668毫伏，化合物2的UV-vis-NIR光谱显示出一个间隔价电子转移带在1794纳米处。这些技术收集的信息表明，研究的双核配合物之间存在着强烈的金属中心之间的相互作用。

  DOI：

  10.1139/cjc-2013-0062

文献信息

• Synthesis and Electronic Structure of Dicyanofulvene-Fused Electron Accepting Molecule Based on a 1,5-Dihydro-<i>s</i>-Indacene Framework
  作者：Yasutaka Endo、Masashi Hasegawa、Tamami Matsui、Hajime Yagi、Shojun Hino、Yasuhiro Mazaki

  DOI：10.1021/ol502675n

  日期：2014.11.7

  A novel dicyanofulvene dimer fused to a benzene ring (3a) has been synthesized as an electron-accepting molecule. The low-lying LUMO level was validated by measuring the ultraviolet photoelectron spectroscopy and electronic spectra. Cyclic voltammetry exhibited sequential reversible waves from 3a to 3a(4-) in a range of -0.30 to -2.14 V (vs Fc/Fc(+)). The electronic structure of 3a and its anionic species (3a(center dot-), 3a(2-), 3a(3 center dot-), and 3a(4-)) were investigated by electronic spectra and X-ray crystallographic analyses.