2,5-bis[4-n-decyloxybenzoyloxy-(4-benzoyloxy)]-3,6-dichloro-1,4-benzoquinone | 1258010-73-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 2,5-bis[4-n-decyloxybenzoyloxy-(4-benzoyloxy)]-3,6-dichloro-1,4-benzoquinone
• 英文别名: 2,5-bis[4-(4-n-decyloxybenzoyloxy)-(4-benzoyloxy)]-3,6-dichloro-1,4-benzoquinone；[4-[2,5-Dichloro-4-[4-(4-decoxybenzoyl)oxybenzoyl]oxy-3,6-dioxocyclohexa-1,4-dien-1-yl]oxycarbonylphenyl] 4-decoxybenzoate；[4-[2,5-dichloro-4-[4-(4-decoxybenzoyl)oxybenzoyl]oxy-3,6-dioxocyclohexa-1,4-dien-1-yl]oxycarbonylphenyl] 4-decoxybenzoate
• CAS: 1258010-73-9
• 化学式: C₅₄H₅₈Cl₂O₁₂
• 分子量: 969.953
• InChiKey: BRFHTKGXMKCIMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.7
• 重原子数：
  68
• 可旋转键数：
  32
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  158
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2,5-bis[4-hydroxybenzoyloxy]-3,6-dichloro-1,4-benzoquinone 、 4-decyloxybenzoyl chloride 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 生成 2,5-bis[4-n-decyloxybenzoyloxy-(4-benzoyloxy)]-3,6-dichloro-1,4-benzoquinone
  参考文献：
  名称：

  Liquid Crystalline Properties of 2,5-Bis[4-n-alkoxybenzoyloxy-(4-benzoyloxy)]-3,6-dichloro-1,4-benzoquinones: Synthesis and Characterization

  摘要：

  A new series of 2,5-bis[4-n-alkoxybenzoyloxy-(4-benzoyloxy)]-3,6-dichloro-1,4-benzoquinones, C6Cl2O2(OCOC6H4OCOC6H4OR)2, where R=CmH2m+1 and m=7, 8, 9, 10, 11, 12, 14, and 16, have been synthesized. These compounds have been characterized by elemental analyses, FT-IR, UV-visible, 1H, and 13C NMR spectra. Mesomorphic properties of these compounds were studied by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). The mesomorphic nature of these compounds depends on the alkoxy chain length. The compounds (m=7, 8, 9, 10) exhibit a monotropic nematic mesophase in cooling cycle, while the compounds (m=11, 12, 14, and 16) show no mesogenic behavior in both heating and cooling cycles. The intermolecular interactions play a vital role in the mesogenic nature of these compounds. In higher homologues of the series the intermolecular interactions become more prominent leading to loss in mesogenic nature.

  DOI：

  10.1080/15421400903483965

文献信息

• Liquid Crystalline Properties of 2,5-Bis[4-n-alkoxybenzoyloxy-(4-benzoyloxy)]-3,6-dichloro-1,4-benzoquinones: Synthesis and Characterization
  作者：Bachcha Singh、Ashwini Pandey

  DOI：10.1080/15421400903483965

  日期：2010.2.25

  A new series of 2,5-bis[4-n-alkoxybenzoyloxy-(4-benzoyloxy)]-3,6-dichloro-1,4-benzoquinones, C6Cl2O2(OCOC6H4OCOC6H4OR)2, where R=CmH2m+1 and m=7, 8, 9, 10, 11, 12, 14, and 16, have been synthesized. These compounds have been characterized by elemental analyses, FT-IR, UV-visible, 1H, and 13C NMR spectra. Mesomorphic properties of these compounds were studied by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). The mesomorphic nature of these compounds depends on the alkoxy chain length. The compounds (m=7, 8, 9, 10) exhibit a monotropic nematic mesophase in cooling cycle, while the compounds (m=11, 12, 14, and 16) show no mesogenic behavior in both heating and cooling cycles. The intermolecular interactions play a vital role in the mesogenic nature of these compounds. In higher homologues of the series the intermolecular interactions become more prominent leading to loss in mesogenic nature.