4-[2-fluoro-4-(4'-pentyl-1,1'-bicyclohexane-4-yl)phenyl]cyclohexanone | 1209486-45-2

• 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: 4-[2-fluoro-4-(4'-pentyl-1,1'-bicyclohexane-4-yl)phenyl]cyclohexanone
• 英文别名: 4-[2-fluoro-4-(4'-pentyl-1,1'-bicyclohexan-4-yl)phenyl]cyclohexanone；4-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexan-1-one
• CAS: 1209486-45-2
• 化学式: C₂₉H₄₃FO
• 分子量: 426.658
• InChiKey: ILVUNBQKPHDLAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二溴二氟甲烷 、 4-[2-fluoro-4-(4'-pentyl-1,1'-bicyclohexane-4-yl)phenyl]cyclohexanone 在 六乙基亚磷酸胺 作用下， 生成 4-[2-fluoro-4-(4'-pentyl-1,1'-bicyclohexane-4-yl)phenyl]difluoromethylenecyclohexane
  参考文献：
  名称：

  Nematic Liquid Crystal Compounds with Five-Ring Framework

  摘要：

  A series of novel liquid crystal compounds with five-ring framework having a -CF(2)O- linkage group (1a-1e) has been synthesized and their physical properties were measured. These compounds are characterized to have higher nematic-isotropic liquid transition temperatures and broader mesophase temperature range. As for the anisotropic properties, this series is categorized as compounds having large Delta epsilon and Delta n. Although these compounds possess five rings in their structures, they exhibit high miscibility caused by the rotately non-symmetric structures including the lateral fluorine substituted phenylene rings. One of the novel compounds exhibits SmF phase and shows the second-order phase transition of SmA to SmC. The compounds are effective to improve the response property of the mixtures due to their high elastic constants. These five-ring compounds possess diversified properties and of high potential materials for improving the LCD performances.

  DOI：

  10.1080/15421400903065440
• 作为产物：
  描述：

  1,4-环己二酮单乙二醇缩酮 、 4-(3-fluorophenyl)-4'-pentyl-1,1'-bicyclohexane 在 仲丁基锂 、 对甲苯磺酸 作用下， 生成 4-[2-fluoro-4-(4'-pentyl-1,1'-bicyclohexane-4-yl)phenyl]cyclohexanone
  参考文献：
  名称：

  Nematic Liquid Crystal Compounds with Five-Ring Framework

  摘要：

  A series of novel liquid crystal compounds with five-ring framework having a -CF(2)O- linkage group (1a-1e) has been synthesized and their physical properties were measured. These compounds are characterized to have higher nematic-isotropic liquid transition temperatures and broader mesophase temperature range. As for the anisotropic properties, this series is categorized as compounds having large Delta epsilon and Delta n. Although these compounds possess five rings in their structures, they exhibit high miscibility caused by the rotately non-symmetric structures including the lateral fluorine substituted phenylene rings. One of the novel compounds exhibits SmF phase and shows the second-order phase transition of SmA to SmC. The compounds are effective to improve the response property of the mixtures due to their high elastic constants. These five-ring compounds possess diversified properties and of high potential materials for improving the LCD performances.

  DOI：

  10.1080/15421400903065440

文献信息

• FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：TANAKA HIROYUKI

  公开号：US20090302273A1

  公开（公告）日：2009-12-10

  A liquid crystal compound represented by formula (1), a liquid crystal composition comprising the compound, and a liquid crystal display device comprising the composition: For example, R 1 is alkyl having 1 to 20; ring A 1 , ring A 2 , ring A 3 , ring A 4 , ring A 5 , and ring A 6 are 1,4-cyclohexylene or 1,4-phenylene; Z 1 , Z 2 , Z 3 , Z 4 , Z 5 , and Z 6 is a single bond; X 1 is hydrogen or halogen; l, m, n, o, p, and q are 0 or 1, and l+m+n+o+p+q is 3.

  一种由式（1）表示的液晶化合物，包括该化合物的液晶组合物以及包括该组合物的液晶显示装置：例如，R1是具有1到20个碳原子的烷基;环A1，环A2，环A3，环A4，环A5和环A6是1,4-环己烯基或1,4-苯基;Z1，Z2，Z3，Z4，Z5和Z6是单键;X1是氢或卤素;l，m，n，o，p和q为0或1，且l+m+n+o+p+q为3。
• Five-ring liquid crystal compound having cyclohexane ring, liquid crystal composition, and liquid crystal display device
  申请人：Chisso Corporation

  公开号：US07951432B2

  公开（公告）日：2011-05-31

  A liquid crystal compound represented by formula (1), a liquid crystal composition comprising the compound, and a liquid crystal display device comprising the composition: For example, R1 is alkyl having 1 to 20; ring A1, ring A2, ring A3, ring A4, ring A5, and ring A6 are 1,4-cyclohexylene or 1,4-phenylene; Z1, Z2, Z3, Z4, Z5, and Z6 is a single bond; X1 is hydrogen or halogen; l, m, n, o, p, and q are 0 or 1, and l+m+n+o+p+q is 3.

  液晶化合物由式（1）表示，液晶组合物包括该化合物，以及包括该组合物的液晶显示装置：例如，R1是1到20个碳原子的烷基；环A1，环A2，环A3，环A4，环A5和环A6是1,4-环己基或1,4-苯基；Z1，Z2，Z3，Z4，Z5和Z6是单键；X1是氢或卤素；l，m，n，o，p和q为0或1，且l+m+n+o+p+q为3。
• US7951432B2
  申请人：——

  公开号：US7951432B2

  公开（公告）日：2011-05-31