4'-n-Hexacosyloxybiphenyl-4-carboxylic acid | 309275-27-2

• 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'-n-Hexacosyloxybiphenyl-4-carboxylic acid
• CAS: 309275-27-2
• 化学式: C₃₉H₆₂O₃
• 分子量: 578.919
• InChiKey: ZQAUDNLOYASWER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.81
• 重原子数：
  42.0
• 可旋转键数：
  28.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4'-n-Hexacosyloxybiphenyl-4-carboxylic acid 生成 4'-n-Hexacosyloxy-3'-nitrobiphenyl-4-carboxylic acid
  参考文献：
  名称：

  A cubic–cubic phase transition of 4′-n-hexacosyloxy-3′-nitrobiphenyl-4-carboxylic acid (ANBC-26)

  摘要：

  将4-正烷氧基-3-硝基联苯-4-羧酸的烷氧基延长至C26产生两种具有Im3m和Ia3d对称性的立方中间相，其中Im3m立方相转变为Ia3d立方相加热至162℃。

  DOI：

  10.1039/a902975c
• 作为产物：
  描述：

  1,10-二溴癸烷 在 magnesium 作用下， 生成 4'-n-Hexacosyloxybiphenyl-4-carboxylic acid
  参考文献：
  名称：

  A cubic–cubic phase transition of 4′-n-hexacosyloxy-3′-nitrobiphenyl-4-carboxylic acid (ANBC-26)

  摘要：

  将4-正烷氧基-3-硝基联苯-4-羧酸的烷氧基延长至C26产生两种具有Im3m和Ia3d对称性的立方中间相，其中Im3m立方相转变为Ia3d立方相加热至162℃。

  DOI：

  10.1039/a902975c

文献信息

• Phase Transitions of 4‘-<i>n</i>-Hexacosyloxy-3‘-nitrobiphenyl-4-carboxylic Acid (ANBC-26):  Two Types of Thermotropic Cubic Phases
  作者：Shoichi Kutsumizu、Tatsuya Ichikawa、Minoru Yamada、Shuichi Nojima、Shinichi Yano

  DOI：10.1021/jp0018652

  日期：2000.11.1

  The phase transitions of 4'-n-hexacosyloxy-3'-nitrobiphenyl-4-carboxylic acid (ANBC-26, where "26" indicates the number of carbon atoms in the alkoxy group) were investigated by differential scanning calorimetric (DSC), polarizing optical microscopic, and X-ray diffraction (XRD) measurements. ANBC-26 is a new liquid crystalline material which exhibits successively two types of three-dimensionally ordered cubic mesophases on heating; the low-temperature cubic (CubI) phase has a space group of Im3m, and the high-temperature one (CubII phase) is of Ia3d type, identical with the cubic phase of shorter alkoxy chain homologues such as ANBC-16, and a cubic-cubic phase transition occurs at 435 K on DSC, Reversibility of the transitions between them was studied and the structures of those mesophases are discussed. The transformation from a one-dimensionally ordered smectic C (SmC) to the CubI phase and to the CubII phase can be interpreted qualitatively in terms of the increased curvature of the interface. The structured liquid Il phase, an intermediate phase between the CubII and a true isotropic liquid I-2 phases, has been also studied, indicating that this phase could be characterized by Ornstein-Zernike type short-range fluctuation, which means the presence of molecular clusters consisting of several ANBC-26 dimers in the temperature region.