2,5-Dichlor-3,6-bis(p-oktyloxybenzoyloxy)-1,4-benzochinon | 62283-76-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,5-Dichlor-3,6-bis(p-oktyloxybenzoyloxy)-1,4-benzochinon
• 英文别名: 2,5-bis(4-n-octyloxybenzoyloxy)-3,6-dichloro-1,4-benzoquinone；[2,5-Dichloro-4-(4-octoxybenzoyl)oxy-3,6-dioxocyclohexa-1,4-dien-1-yl] 4-octoxybenzoate；[2,5-dichloro-4-(4-octoxybenzoyl)oxy-3,6-dioxocyclohexa-1,4-dien-1-yl] 4-octoxybenzoate
• CAS: 62283-76-5
• 化学式: C₃₆H₄₂Cl₂O₈
• 分子量: 673.631
• InChiKey: ORSBNAGNTSEFJO-UHFFFAOYSA-N

物化性质

• 沸点：
  711.0±60.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  46
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  四氯苯醌 、 以 乙醇 为溶剂， 反应 8.5h， 以72%的产率得到2,5-Dichlor-3,6-bis(p-oktyloxybenzoyloxy)-1,4-benzochinon
  参考文献：
  名称：

  Liquid-Crystalline Properties of 2,5-Bis(4-n-Alkoxybenzoyloxy)-3,6-Dichloro-1,4-Benzoquinones and Their Copper (II) Complexes—Synthesis and Characterization

  摘要：

  A new series of 2,5-bis(4-n-alkoxybenzoyloxy)-3,6-dichloro-1,4-benzoquinones, C6Cl2O2(OOCC6H4OR)2 and their copper (II) compounds, C6Cl2O2(OOCC6H4OR)2 Cu(CH3COO)2 center dot H2O where R=CmH2m+1 and m=6,7,8,9,10, 11,12,14, and 16 have been synthesized. The compounds have been characterized by elemental analyses, fourier transform infrared (FTIR) far IR, 1H, and 13C NMR spectra. The UV-Visible, electron spin resonance (ESR), and magnetic susceptibility studies of the copper compounds have also been made. Mesomorphic properties of these compounds were studied by differential scanning calorimetry and polarizing microscopy. The mesomorphic nature of these compounds depends on the alkoxy chain length. The compounds (m=6, 7, 8, 14) exhibit the nematic mesophase. Compound (m=9)shows a nematic mesophase in heating cycle and both a nematic and a smectic A mesophase in the cooling cycle, whereas compound (m=10) shows enantiotropic nematic and smectic A mesophases. Compound (m=11) shows a monotropic smectic A mesophase and compound (m=12) shows an enantiotropic smectic A mesophase, whereas m=16 nonmesomorphic. The copper (II) complexes of these compounds were found to be nonmesogenic.

  DOI：

  10.1080/15421400903568104

文献信息

• Liquid-Crystalline Properties of 2,5-Bis(4-n-Alkoxybenzoyloxy)-3,6-Dichloro-1,4-Benzoquinones and Their Copper (II) Complexes—Synthesis and Characterization
  作者：Bachcha Singh、Ashwini Pandey

  DOI：10.1080/15421400903568104

  日期：2010.6.21

  A new series of 2,5-bis(4-n-alkoxybenzoyloxy)-3,6-dichloro-1,4-benzoquinones, C6Cl2O2(OOCC6H4OR)2 and their copper (II) compounds, C6Cl2O2(OOCC6H4OR)2 Cu(CH3COO)2 center dot H2O where R=CmH2m+1 and m=6,7,8,9,10, 11,12,14, and 16 have been synthesized. The compounds have been characterized by elemental analyses, fourier transform infrared (FTIR) far IR, 1H, and 13C NMR spectra. The UV-Visible, electron spin resonance (ESR), and magnetic susceptibility studies of the copper compounds have also been made. Mesomorphic properties of these compounds were studied by differential scanning calorimetry and polarizing microscopy. The mesomorphic nature of these compounds depends on the alkoxy chain length. The compounds (m=6, 7, 8, 14) exhibit the nematic mesophase. Compound (m=9)shows a nematic mesophase in heating cycle and both a nematic and a smectic A mesophase in the cooling cycle, whereas compound (m=10) shows enantiotropic nematic and smectic A mesophases. Compound (m=11) shows a monotropic smectic A mesophase and compound (m=12) shows an enantiotropic smectic A mesophase, whereas m=16 nonmesomorphic. The copper (II) complexes of these compounds were found to be nonmesogenic.