2-[4-(2,2-dicarboxyhexyl)-2,5-dimethylbenzyl]-2-butylmalonic acid | 1268257-84-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[4-(2,2-dicarboxyhexyl)-2,5-dimethylbenzyl]-2-butylmalonic acid
• 英文别名: 2,2'-(2,5-dimethyl-1,4-phenylene)bis(methylene)bis(2-butylmalonic acid)；2-Butyl-2-[[4-(2,2-dicarboxyhexyl)-2,5-dimethylphenyl]methyl]propanedioic acid；2-butyl-2-[[4-(2,2-dicarboxyhexyl)-2,5-dimethylphenyl]methyl]propanedioic acid
• CAS: 1268257-84-6
• 化学式: C₂₄H₃₄O₈
• 分子量: 450.529
• InChiKey: NALDHARBROFMEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  32
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-[4-(2,2-dicarboxyhexyl)-2,5-dimethylbenzyl]-2-butylmalonic acid 在 lithium aluminium tetrahydride 、 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 甲苯 为溶剂， 反应 8.0h， 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
• 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 3.5h， 生成 2-[4-(2,2-dicarboxyhexyl)-2,5-dimethylbenzyl]-2-butylmalonic acid
  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

• Preparation and ESR characterization of polyalkyl-s-indacenyl anion-radicals from polyalkyl-1,5-dilithio-s-indacenes
  作者：C. Adams、J. Araneda、C. Morales、I. Chavez、J.M. Manriquez、D. Mac-Leod Carey、N. Katir、A. Castel、P. Rivière、M. Rivière-Baudet、M. Dahrouch、N. Gatica

  DOI：10.1016/j.ica.2010.10.002

  日期：2011.1

  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.
• Synthesis, characterization, and electrochemical study of diiron organometallic derivatives of 2,6-dibutyl-4,8-dimethyl-1,5-dihydro-<i>s</i>-indacene
  作者：M.K. Amshumali、Veronica Arancibia、Juan M. Manriquez、Ivonne Chavez

  DOI：10.1139/cjc-2013-0062

  日期：2013.8

  A new fused ring compound, 2,6-dibutyl-4,8-dimethyl-1,5-dihydro-s-indacene (VII) (H₂L), has been synthesized from 2,5-dimethyl-1,4-dibromomethylbenzene in almost quantitative yield. Two organomtallic binuclear complexes, [Cp*Fe-L-FeCp*] (1) and the mixed-valence compound [Cp*Fe-L-FeCp*]⁺ BF^–₄ (2), have been characterized by spectroscopic and electrochemical techniques. The cyclic voltammogram of 1 exhibits a potential difference of 668 mV between two redox peaks and the UV-vis-NIR spectra of compound 2 shows an intervalance charge transfer band at 1794 nm. The information gathered by these techniques indicates that the studied binuclear complex has strong interaction between the two metal centres.

  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。