4-(4'-hydroxybiphenyl) 4-(n-decyloxy)benzoate | 123520-85-4

• 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-(4'-hydroxybiphenyl) 4-(n-decyloxy)benzoate
• 英文别名: 4-Decyloxy-benzoic acid 4'-hydroxy-biphenyl-4-yl ester；[4-(4-hydroxyphenyl)phenyl] 4-decoxybenzoate
• CAS: 123520-85-4
• 化学式: C₂₉H₃₄O₄
• 分子量: 446.587
• InChiKey: BNVZUAQPHULZSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  33
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4'-hydroxybiphenyl) 4-(n-decyloxy)benzoate 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 1.0h， 生成 [4-[4-[6-[2-Methyl-3-(phenylcarbamoyloxy)-2-(phenylcarbamoyloxymethyl)propoxy]hexoxy]phenyl]phenyl] 4-decoxybenzoate
  参考文献：
  名称：

  Thermal Properties of Liquid-Crystalline Diols and Corresponding Bis-Urethanes with Mesogenic Groups of Various Structures in Side Chains

  摘要：

  The liquid-crystalline diols with mesogenic groups of different structures were synthetized and their temperature behavior and existence of mesophases were determined. These compounds were also reacted with phenylisocyanate to form bis-urethanes at the ratio of reactive groups [OH]/[NCO] = 1/1. The changes of phase transition temperatures due to the change of H-O-H to H-N-H interactions have been investigated. Generally, the introduction of a phenylurethane group into the molecule suppresses the occurence of mesophases; in the case of simple mesogens the mesophases disappear completely. Stiff substituents bound to mesogen as end groups (such as the phenyl group, alkoxy group, etc.) stabilize the mesophases to such a degree that the negative influence of urethane group is compensated and the LC properties are recovered.

  DOI：

  10.1080/15421400390193954
• 作为产物：
  描述：

  4,4'-二羟基联苯 、 4-(癸氧基)苯甲酸 在 氯化亚砜 作用下， 生成 4-(4'-hydroxybiphenyl) 4-(n-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

文献信息

• Scherowsky, G.; Gay, J.; Sharma, N. K., Molecular Crystals and Liquid Crystals (1969-1991), 1990, vol. 178, p. 179 - 192
  作者：Scherowsky, G.、Gay, J.、Sharma, N. K.

  DOI：——

  日期：——
• Arakawa, Sei'ichi; Nito, Kei'ichi; Seto, Jun'etsu, Molecular Crystals and Liquid Crystals (1969-1991), 1991, vol. 204, p. 15 - 25
  作者：Arakawa, Sei'ichi、Nito, Kei'ichi、Seto, Jun'etsu

  DOI：——

  日期：——
• Thermal Properties of Liquid-Crystalline Diols and Corresponding Bis-Urethanes with Mesogenic Groups of Various Structures in Side Chains
  作者：M. Kašpar、V. Hamplová、V. Novotná、M. Studenovský、M. Ilavský

  DOI：10.1080/15421400390193954

  日期：2003.1.1

  The liquid-crystalline diols with mesogenic groups of different structures were synthetized and their temperature behavior and existence of mesophases were determined. These compounds were also reacted with phenylisocyanate to form bis-urethanes at the ratio of reactive groups [OH]/[NCO] = 1/1. The changes of phase transition temperatures due to the change of H-O-H to H-N-H interactions have been investigated. Generally, the introduction of a phenylurethane group into the molecule suppresses the occurence of mesophases; in the case of simple mesogens the mesophases disappear completely. Stiff substituents bound to mesogen as end groups (such as the phenyl group, alkoxy group, etc.) stabilize the mesophases to such a degree that the negative influence of urethane group is compensated and the LC properties are recovered.
• Mesomorphic and structural properties of liquid crystal possessing a chiral lactate unit
  作者：Banani Das、Anamika Pramanik、Malay Kumar Das、Alexej Bubnov、Věra Hamplová、Miroslav Kašpar

  DOI：10.1016/j.molstruc.2012.01.017

  日期：2012.4

  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.