4-庚基环己酮 | 16618-75-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-庚基环己酮
• 英文名称: 4-n-heptylcyclohexanone
• 英文别名: 4-n-Heptylcyclohexanon；4-heptylcyclohexanone；4-heptylcyclohexan-1-one
• CAS: 16618-75-0
• 化学式: C₁₃H₂₄O
• 分子量: 196.333
• InChiKey: QWHCPRHASHNSDA-UHFFFAOYSA-N

物化性质

• 沸点：
  118-120 °C(Press: 5 Torr)
• 密度：
  0.880±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-庚基环己酮 在 palladium on activated charcoal 盐酸 、 sodium hydroxide 、 三氯化铝 、 氢气 、 溴 、 对甲苯磺酸 作用下， 以 1,4-二氧六环 、 乙醇 、 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 4.5h， 生成 反式-4-庚基环己烷羧酸
  参考文献：
  名称：

  Bezborodov, V. S.; Bubel', O. N.; Konovalov, V. A., Journal of Organic Chemistry USSR (English Translation), 1983, vol. 19, p. 1479 - 1483

  摘要：

  DOI：
• 作为产物：
  描述：

  4-庚基苯酚 在 rhodium on alumina chromium(VI) oxide 、 氢气 作用下， 生成 4-庚基环己酮
  参考文献：
  名称：

  Liang, Jason C.; Kumar, Satyendra, Molecular Crystals and Liquid Crystals (1969-1991), 1987, vol. 142, p. 77 - 84

  摘要：

  DOI：

文献信息

• Perhydrophenanthrenes; novel liquid crystals
  作者：Hermann Minas、Hans-R�diger Murawski、Horst Stegemeyer、Wolfgang Sucrow

  DOI：10.1039/c39820000308

  日期：——

  Some perhydrophenanthrenes, prepared in order to fill the gap between bicyclohexanes and cholesterylesters as liquid crystals, show nematic phases.

  为了填充双环己烷和胆固醇酯之间的液晶间隙而制备的一些全氢菲显示出向列相。
• Fluorinated anthracenes, and their use in liquid-crystal mixtures
  申请人：Clariant International Ltd.

  公开号：US20030118749A1

  公开（公告）日：2003-06-26

  The invention relates to compounds of the formula (I) and to liquid-crystal mixtures comprising these compounds and to the use thereof in liquid-crystal displays.

  该发明涉及公式(I)的化合物，以及包含这些化合物的液晶混合物和在液晶显示器中使用它们的用途。
• Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device
  申请人：JNC Corporation

  公开号：US08187494B2

  公开（公告）日：2012-05-29

  The invention provides a liquid crystal compound having stability to heat, light and so forth, a wide temperature range of a nematic phase, a small viscosity, a suitable optical anisotropy, and a suitable elastic constant K33, and further having a suitable and negative dielectric anisotropy and an excellent compatibility with other liquid crystal compounds, and a liquid crystal composition having stability to heat, light and so forth, a low viscosity, a large optical anisotropy, a suitable and negative dielectric anisotropy, and a suitable elastic constant K33, a low threshold voltage, a high maximum temperature (phase-transition temperature on a nematic phase-isotropic phase) of a nematic phase, and a low minimum temperature of the nematic phase. The liquid crystal compound which has a specific structure having fluorine at a lateral position and also having phenylene in which hydrogen on the benzene ring is replaced by fluorine, and a liquid crystal composition containing the compound are prepared.

  该发明提供了一种具有对热、光等具有稳定性、具有宽温度范围的向列相、具有较小粘度、适当的光学各向异性和适当的弹性常数K33，并且具有适当且负的介电各向异性以及与其他液晶化合物具有良好的相容性的液晶化合物，以及具有对热、光等具有稳定性、低粘度、较大的光学各向异性、适当且负的介电各向异性、适当的弹性常数K33、低阈值电压、高向列相的最高温度（向列相-等向相的相变温度）和低向列相的最低温度的液晶组合物。制备了具有特定结构的液晶化合物，其在侧位具有氟，并且苯环上的氢被氟取代，以及含有该化合物的液晶组合物。
• FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Kobayashi Masahide

  公开号：US20100309402A1

  公开（公告）日：2010-12-09

  The invention provides a liquid crystal compound having stability to heat, light and so forth, a wide temperature range of a nematic phase, a small viscosity, a suitable optical anisotropy, and a suitable elastic constant K 33 , and further having a suitable and negative dielectric anisotropy and an excellent compatibility with other liquid crystal compounds, and a liquid crystal composition having stability to heat, light and so forth, a low viscosity, a large optical anisotropy, a suitable and negative dielectric anisotropy, and a suitable elastic constant K 33 , a low threshold voltage, a high maximum temperature (phase-transition temperature on a nematic phase-isotropic phase) of a nematic phase, and a low minimum temperature of the nematic phase. The liquid crystal compound which has a specific structure having fluorine at a lateral position and also having phenylene in which hydrogen on the benzene ring is replaced by fluorine, and a liquid crystal composition containing the compound are prepared.

  本发明提供了一种液晶化合物，具有耐热、耐光等稳定性，广泛的向列相温度范围，低粘度，适当的光学各向异性和适当的弹性常数K33，进一步具有适当且负的介电各向异性和与其他液晶化合物优异的相容性，以及一种液晶组合物，具有耐热、耐光等稳定性，低粘度，大的光学各向异性，适当且负的介电各向异性，适当的弹性常数K33，低阈值电压，向列相的高最大温度（向列相-等向相相变温度）和低向列相的最低温度。制备了一种具有侧位氟和苯环上氢被氟取代的苯基的特定结构的液晶化合物以及含有该化合物的液晶组合物。
• Construction of the A–B–C Ring of Simplicissin through an Oxidative Dearomatization/Iodination/[3+2] Annulation Cascade
  作者：Ziwei Zhang、Zezhong Sun、Jianing Song、Hao Guo、Yunxia Wang、Xiangdong Hu

  DOI：10.1021/acs.orglett.3c03464

  日期：2023.12.8

  analogues. On the basis of the development of an oxidative dearomatization/iodination/[3+2] annulation cascade, a concise synthetic pathway to the A–B–C ring of simplicissin has been successfully established, and the substrate generality of the novel oxidative dearomatization/iodination/[3+2] annulation cascade has been checked.

  作为一种有吸引力的 DMOA 衍生螺萜类化合物，simplicissin 与其他天然类似物具有共同的 A-B-C 环骨架。在氧化脱芳构化/碘化/[3+2]环化级联发展的基础上，成功建立了simplicissin A-B-C环的简明合成途径，并建立了新型氧化脱芳构化/[3+2]环化级联的底物通用性。碘化/[3+2]环化级联已被检查。