4'-(1-(octyloxy)-1-oxopropan-2-yloxy) biphenyl-4-yl 4-(decyloxy)benzoate | 1370550-73-4

• 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: 4'-(1-(octyloxy)-1-oxopropan-2-yloxy) biphenyl-4-yl 4-(decyloxy)benzoate
• CAS: 1370550-73-4
• 化学式: C₄₀H₅₄O₆
• 分子量: 630.865
• InChiKey: JKINPWUHGLSBHD-YTTGMZPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.76
• 重原子数：
  46.0
• 可旋转键数：
  23.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4-(4'-hydroxybiphenyl) 4-(n-decyloxy)benzoate 、 (S)-乳酸辛酯 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 4'-(1-(octyloxy)-1-oxopropan-2-yloxy) biphenyl-4-yl 4-(decyloxy)benzoate
  参考文献：
  名称：

  Mesomorphic and structural properties of liquid crystal possessing a chiral lactate unit

  摘要：

  The mesomorphic and structural properties of the chiral lactic acid derivative 4'-(1-(octyloxy)-1-oxopropan-2-yloxy) biphenyl-4-yl 4-(decyloxy)benzoate have been studied. The compound shows the blue phase (BPII), the cholesteric (N*), the TGB(A) and the paraelectric SmA* phases over a broad temperature range. Polarising optical microscopy, differential scanning calorimetry, optical transmission, X-ray diffraction and dielectric spectroscopy studies have been performed. In the SmA* phase the layer spacing (d) values are found to be slightly temperature dependent and suggest that there is no bi-layer association present in the mesophase. In the TGB(A) phase, the d values show strong temperature dependence near SmA*-TGB(A) phase transition, indicating pre-transitional effect. The temperature dependence of scattered X-ray intensities indicate the appearance of long range smectic ordering at the N*-TGB(A) phase transition. Near the TGB(A)-SmA* phase boundary strong SmA* fluctuations predominate. This behaviour is also observed from the temperature dependence of the d values. The transverse correlation lengths, xi(perpendicular to), diverge near the N*-TGB(A) phase transition indicating second order phase transition. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.01.017