(S,S)-1,1,1,15,15,15-hexafluoropentadecane-2,14-diyl bis<4-<(4'-octyloxybiphenyl-4-yl)carbonyloxy>benzoate>

• 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: (S,S)-1,1,1,15,15,15-hexafluoropentadecane-2,14-diyl bis<4-<(4'-octyloxybiphenyl-4-yl)carbonyloxy>benzoate>
• 英文别名: (S,S)-1,1,1,15,15,15-hexafluoropentadecane-2,14-diyl bis[4-[(4'-octyloxybiphenyl-4-yl)carbonyloxy]benzoate]；[4-[(2S,14S)-1,1,1,15,15,15-hexafluoro-14-[4-[4-(4-octoxyphenyl)benzoyl]oxybenzoyl]oxypentadecan-2-yl]oxycarbonylphenyl] 4-(4-octoxyphenyl)benzoate
• 化学式: C₇₁H₈₂F₆O₁₀
• 分子量: 1209.42
• InChiKey: OTPJSJORNPRHAG-BJXUADKWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.8
• 重原子数：
  87
• 可旋转键数：
  42
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  1,9-二溴壬烷 在 palladium on activated charcoal 4-二甲氨基吡啶 、 copper(l) iodide 、 氢气 、 magnesium 、 N,N'-二环己基碳二亚胺 作用下， 生成 (S,S)-1,1,1,15,15,15-hexafluoropentadecane-2,14-diyl bis<4-<(4'-octyloxybiphenyl-4-yl)carbonyloxy>benzoate>
  参考文献：
  名称：

  Synthesis and Properties of Dimeric Antiferroelectric Liquid Crystals

  摘要：

  由(S)-(三氟甲基)制备的通式结构为[(S)-n-CmH2m+1O-C6H4C6H4COOC6H4COOCH(CF3)]2(CH2)n (m = 8, 10; n = 7, 9, 11)的二聚液晶)环氧乙烷表现出稳定的反铁电手性近晶C相，并且被证明是反铁电液晶的良好掺杂剂。

  DOI：

  10.1246/cl.1995.719

文献信息

• Synthesis and Properties of Dimeric Antiferroelectric Liquid Crystals
  作者：Yoshiichi Suzuki、Tadaaki Isozaki、Tetsuo Kusumoto、Tamejiro Hiyama

  DOI：10.1246/cl.1995.719

  日期：1995.8

  Dimeric liquid crystals of general structure [(S)-n-CmH2m+1O-C6H4C6H4COOC6H4COOCH(CF3)]2(CH2)n (m = 8, 10; n = 7, 9, 11) prepared from (S)-(trifluoromethyl)oxirane exhibited stable antiferroelectric chiral smectic C phase and were shown to be good dopants for antiferroelectric liquid crystals.

  由(S)-(三氟甲基)制备的通式结构为[(S)-n-CmH2m+1O-C6H4C6H4COOC6H4COOCH(CF3)]2(CH2)n (m = 8, 10; n = 7, 9, 11)的二聚液晶)环氧乙烷表现出稳定的反铁电手性近晶C相，并且被证明是反铁电液晶的良好掺杂剂。
• Stability of the antiferroelectric phase in dimeric liquid crystals having two chiral centres with CF3 or CH3 groups; evaluation of conformational and electric interactions
  作者：Yoshi-ichi Suzuki、Tadaaki Isozaki、Shigeharu Hashimoto、Tetsuo Kusumoto、Tamejiro Hiyama、Yoichi Takanishi、Hideo Takezoe、Atsuo Fukuda

  DOI：10.1039/jm9960600753

  日期：——

  The synthesis of a novel series of dimeric liquid crystals with two chiral centres with CF3 or CH3 groups connected by an alkylene spacer is described. The two mesogenic units in the dimer tend to align in anticlinic zigzag ordering or in parallel ordering depending on whether the alkylene spacer has an odd or even number of – CH2– groups, n, stabilizing the antiferroelectric SCA* phase or the ferroelectric SC* phase, respectively. This odd-even rule in the conformational effect is no longer valid when the length of the alkylene spacer is increased to over n= 10: the SCA* phase emerges instead of the SC* phase for n= 12, as already reported for the dimer with CF3 groups. Furthermore, we found that the dimers with n= 10 also show a SCA* phase, if the dimers with CH3 or CF3 groups are sandwiched between thick cells. In thin cells, on the other hand, the SC* phase emerges instead of the SCA* phase in the dimers with CH3(n= 10 and 12) and CF3(n= 10), although the SCA* phase is stable even in thin cells in the dimer with CF3(n= 12). Thus, the cell thickness dependence is pronounced in the dimer with CH3 groups, indicating that the dimer with CF3 groups shows more stable antiferroelectricity, the same as in the monomers. These facts suggest the importance of an electric interaction between mesogens for the emergence of the SCA* phase.

  描述了一系列新型二聚液晶的合成，该二聚液晶具有两个手性中心，其中 CF3 或 CH3 基团通过亚烷基间隔基连接。二聚体中的两个介晶单元倾向于以反斜之字形排序或平行排序排列，具体取决于亚烷基间隔基是否具有奇数或偶数个 – CH2– 基团 n，从而稳定反铁电 SCA* 相或铁电 SC* 相， 分别。当亚烷基间隔基的长度增加到超过 n= 10 时，构象效应中的奇偶规则不再有效：当 n= 12 时，出现 SCA* 相而不是 SC* 相，正如二聚体已报道的那样与 CF3 基团。此外，我们发现，如果具有 CH3 或 CF3 基团的二聚体夹在厚细胞之间，则 n= 10 的二聚体也显示出 SCA* 相。另一方面，在薄细胞中，在具有 CH3(n= 10 和 12) 和 CF3(n= 10) 的二聚体中，出现 SC* 相而不是 SCA* 相，尽管 SCA* 相即使在薄细胞中也是稳定的。具有 CF3 的二聚体细胞（n= 12）。因此，单元厚度依赖性在具有CH3基团的二聚体中是明显的，表明具有CF3基团的二聚体表现出更稳定的反铁电性，与单体中相同。这些事实表明介晶之间的电相互作用对于 SCA* 相的出现非常重要。