| 1417352-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 1417352-84-1
• 化学式: C₂₆H₃₈N₂
• 分子量: 378.601
• InChiKey: MIXUTNXTHLEYRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.08
• 重原子数：
  28.0
• 可旋转键数：
  15.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  25.25
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  对氟苯甲酸 、 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Mesomorphic thermal stabilities in supramolecular liquid crystals: Influence of the size and position of a substituent

  摘要：

  A new homologous series of supramolecular Hydrogen Bonded Liquid Crystalline (HBLC) materials are synthesized with two low molar mass non-mesogenic moieties. The non-mesogenic substituted benzoic acids viz., 2-fluorobenzoic acid (2FBA), 3-fluorobenzoic acid (3FBA) and 4-fluorobenzoic acids (4FBA) are used as the proton donors. Non-mesogenic proton acceptors, PyBnA viz., (4-pyridyl)-benzylidene-4'-n-alkyl anilines (decyl, tetradecyl and hexadecyl) are used for the formation of supramolecular structures with the above proton donors. The HB between the two moieties is confirmed by FOR spectroscopy. All the complexes exhibiting the smectic mesomorphism are characterized by Polarizing Optical Microscope (POM) equipped with a hot stage. Differential Scanning Calorimeter (DSC) is used to determine the enthalpy change across the mesomorphic phase transitions. The effect of position of fluorine atom and the chain length of proton acceptor on the mesomorphic stability is studied. The mesomorphic thermal stabilities and their melting/clearing temperatures are discussed in the wake of the data available on other supramolecular HBLCs with and without electronegative substituents on the proton donor moieties. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molliq.2013.05.013
• 作为产物：
  描述：

  4-吡啶甲醛 、 4-十四烷基苯胺 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Induced Smectic-A phase at low temperatures through self-assembly

  摘要：

  Self-assembled Smectic-A liquid crystals (LCs) are synthesized with low molar mass non-mesogenic moieties through intermolecular Hydrogen Bonding (HB) interactions. The HB complexes viz., PyBnA:xClBA (where n = 10, 14 and 16; x = 2, 3 and 4) are exhibiting an orthogonal Smectic-A (SmA) mesophase over a wide range of temperatures and towards ambient temperatures. The proton donors in these complexes, chloro substituted benzoic acids viz., 2-chloro, 3-chloro and 4-chloro benzoic acids (xClBA, x is the position of chlorine on the benzoic acid) are non-mesogenic. The proton acceptors, (4-pyridyl)-benzylidene-4'-n-alkyl anilines (decyl, tetradecyl and hexadecyl) (PyBnA, n is no. of carbons in alkyl chain) are also non-mesogenic. The presence of HB between the proton donor and acceptor is confirmed by Fourier Transform Infrared spectroscopy. The characteristic textures of SmA in all the complexes are observed through Polarizing Optical Microscope (POM) in conjunction with a hot stage. The enthalpy changes across the phase transitions (Isotropic - SmA; SmA - Cryst.) are determined by Differential Scanning Calorimeter (DSC). The influence of chain length of proton acceptor and the position of substituent on proton donor on the thermal stability of smectic mesomorphism are studied. The results are compared with reported linear and non-linear HBLC complexes. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2013.01.053

文献信息

• Influence of polar substituents and flexible chain length on mesomorphism in non-mesogenic linear hydrogen bonded complexes
  作者：Poornima Bhagavath、S. Mahabaleshwara、Sangeetha G. Bhat、D.M. Potukuchi、Prakasha Shetty、Srinivasulu Maddasani

  DOI：10.1016/j.molliq.2021.116313

  日期：2021.8

  their equimolar (1:1) mixtures exhibit liquid crystalline behavior through intermolecular hydrogen bonding (HB), which is characterized by the infrared spectroscopy. The dihalobenzoic acids are the proton donors, while the pyridyl units are proton acceptors and are found to undergo self-assembly. The dihalobenzoic acid HB complexes are found to exhibit higher liquid crystallinity than the corresponding

  在低分子量二卤代苯甲酸（即 2,4-二氯苯甲酸和 4-氯-2-氟苯甲酸）和希夫碱吡啶单元（即 （4-吡啶基）-亚苄基-4ʹ-正烷基苯胺（庚基、癸基、十二烷基、十四烷基和十六烷基同系物，PyBnA）的混合物中观察到液晶 （LC） 行为，比例为 1：1。二卤代苯甲酸和吡啶基团是非间生的，但它们的等摩尔 （1：1） 混合物通过分子间氢键 （HB） 表现出液晶行为，这是红外光谱的特征。二卤代苯甲酸是质子供体，而吡啶基单元是质子受体，被发现会发生自组装。发现二卤代苯甲酸 HB 配合物比具有相同吡啶单元的相应单卤代取代的苯甲酸 HB 配合物表现出更高的液晶度。4-氯-2-氟苯甲酸 HB 配合物比具有相同吡啶基团的 2,4-二氯苯甲酸 HB 配合物表现出较大的介晶态。发现 HB 复合物的热范围最初呈增加趋势，然后随着质子受体链长度的增加而减小。发现质子受体的癸基同源物 （PyB10A） 的 HB 配合物