methyl p-(p-n-butyloxybenzoyloxy)benzoate | 157785-37-0

• 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: methyl p-(p-n-butyloxybenzoyloxy)benzoate
• 英文别名: (4-Methoxycarbonylphenyl) 4-butoxybenzoate
• CAS: 157785-37-0
• 化学式: C₁₉H₂₀O₅
• 分子量: 328.365
• InChiKey: OYSAVMPXFTWUNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl p-(p-n-butyloxybenzoyloxy)benzoate 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 、 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  具有查耳酮酯和侧氟取代基的棒状分子的合成和介晶性质

  摘要：

  图形摘要 在本研究中，我们合成了一类新的化合物，其中包含查耳酮和侧向取代的氟基团。合成了一系列具有五个芳环的新型查耳酮，并通过元素分析和光谱技术，如傅里叶变换红外 [FT-IR] 和质子磁共振磁共振 [1H NMR] 光谱进行表征。这些化合物的介晶性质通过光学偏光显微镜 (POM) 观察并通过差示扫描量热法 (DSC) 确认。发现除了本系列中的前三个同系物外，所有制备的材料都显示出对映性 LCs 相。较低的同系物（n = 4 至 12）显示 SmC 和向列相，而在较高的同系物（n = 14 至 18）中，仅在加热和冷却条件下看到 SmC 相。

  DOI：

  10.1080/15421406.2017.1412580
• 作为产物：
  描述：

  4-丁氧基苯甲酸 在 吡啶 、 氯化亚砜 作用下， 生成 methyl p-(p-n-butyloxybenzoyloxy)benzoate
  参考文献：
  名称：

  Mesomorphism of Binary Systems of Nonmesogenic Compounds

  摘要：

  Three binary systems, each consisting of two nonmesogenic compounds, viz. p-tolual-p-phenetidine (M.P. 108.5 degrees C) [A] as the common component, and Methyl p-(p'-n-butyloxy benzoyloxy) benzoate (M.P. 119.0 degrees C) [B-1], Ethyl-p-(p'-n-butyloxy benzoyloxy) benzoate (M.P. 94.0 degrees C) [B-2], and n-Butyl p-(p'-n-butyloxy benzoyloxy) benzoate (M.P. 130.0 degrees C) [B-3] as the second component, respectively, are studied with a view to understand the effect of terminal groups on nematic and/or smectic mesomorphism. Latent transition temperatures (LTT) of the constituent components A, B-1, B-2, and B-3 were determined by extrapolation. Binary system (A + B-1) induces a nematogenic mesophase while binary systems (A + B-2) and (A + B-3) both induce a smectic mesophase in addition to a nematic mesophase. Phase diagrams of the binary systems under investigation are plotted for the mole percent of component (A) versus the transition temperatures of each binary system as determined from polarizing optical microscopy. The texture of the nematic mesophase is of threaded type and that of the smectic mesophase is focal-conic fan shaped of the type smectic-A. Components A, B-1, B-2, and B-3 were prepared by established methods. Analytical data support the structure of molecules under investigation. Melting points of the constituent components match with data reported earlier.

  DOI：

  10.1080/15421406.2011.604589

文献信息

• New hockey stick shaped amino allylidene (‒N˭CH‒CH˭CH) based compounds: Effect of linkage group on mesomorphic properties
  作者：Vinay. S. Sharma、Rajesh. H. Vekariya、Anuj. S. Sharma、R. B. Patel

  DOI：10.1080/15421406.2017.1357430

  日期：2017.7.24

  GRAPHICAL ABSTRACT ABSTRACT Two nonlinear hockey stick shaped homologous series based on three linking groups have been synthesized and characterized by elemental analyses and spectroscopic techniques. The mesomorphic properties of these compounds were observed by polarizing optical microscopy (POM) and differential scanning calorimetry (DSC). In this present investigation, we have synthesized two

  图形摘要 摘要 基于三个连接基团的两个非线性曲棍球棒形同源系列已被合成并通过元素分析和光谱技术表征。通过偏光显微镜（POM）和差示扫描量热法（DSC）观察这些化合物的介晶性质。在本次调查中，我们合成了两个同源系列，即。2-((3-苯基亚丙基)氨基)苯基4-((4-n-烷氧基亚苄基)氨基)苯甲酸酯(series-1)和4-((2-((3-苯基亚丙基)氨基)苯氧基)羰基) 苯基-4-n-烷氧基苯甲酸酯（系列 2）。这两个系列在第一连接基团方面是不同的。在系列 1 中，comp.C4-C18 显示向列相和近晶相，而在系列 2 中，comp.C10-C16 显示近晶相和向列相，而 comp.C4-C18 仅显示向列相。
• New chalcone based liquid crystals with allylidene amino linking unit: Synthesis and characterization
  作者：Vinay S. Sharma、Anuj S. Sharma、Upendra H. Jadeja、Deepak Suthar

  DOI：10.1080/15421406.2018.1499697

  日期：2018.4.13

  In this study, the synthesis, structural characterization and mesomorphic properties of newly thirteen calamitic shaped compounds derived from allylidene amino chalcone and 4-n-alkoxy benzoyloxy benzoic acid. Comp.H-1 to H-3 exhibited nonliquid crystalline nature, while comp.H-4 to comp.H-18 displayed enantiotropical smectic C phase. Phase transition temperatures of present synthesised compounds were determined by optical polarising microscopy (POM), differential scanning calorimetric (DSC) and powder X-ray diffraction (PXRD) techniques. Thermal stabilities of smectic to isotropic phase are 150.0 degrees C and temperature range of mesophase is in decreasing order from comp.H-3 to comp.H-18 respectively. The presences of SmC phase are the type of broken fan and needle type in present synthesized series. It is also shown that presence of chalcone amino allylidene central linking group favors a calamitic liquid crystalline behaviour in molecules with lower member to higher member aliphatic side chain in alkoxy group (-OR).
• Synthesis and mesomorphic properties of calamitic shaped molecules with chalconyl-ester and lateral fluoro substituents
  作者：Vinay S. Sharma、Anuj S. Sharma、Rajesh H. Vekariya、R. B. Patel

  DOI：10.1080/15421406.2017.1412580

  日期：2017.11.22

  GRAPHICAL ABSTRACT ABSTRACT In this study we have synthesized a new class of compounds incorporating of chalcones and laterally substituted fluoro group. A series of new chalcones with five aromatic rings is synthesized and characterised by elemental analyses and spectroscopic techniques such as Fourier transform infrared [FT-IR] and proton magnetic resonance magnetic resonance [1H NMR] spectroscopy

  图形摘要 在本研究中，我们合成了一类新的化合物，其中包含查耳酮和侧向取代的氟基团。合成了一系列具有五个芳环的新型查耳酮，并通过元素分析和光谱技术，如傅里叶变换红外 [FT-IR] 和质子磁共振磁共振 [1H NMR] 光谱进行表征。这些化合物的介晶性质通过光学偏光显微镜 (POM) 观察并通过差示扫描量热法 (DSC) 确认。发现除了本系列中的前三个同系物外，所有制备的材料都显示出对映性 LCs 相。较低的同系物（n = 4 至 12）显示 SmC 和向列相，而在较高的同系物（n = 14 至 18）中，仅在加热和冷却条件下看到 SmC 相。
• Mesomorphism of Binary Systems of Nonmesogenic Compounds
  作者：A. V. Doshi、D. A. Odedara、R. B. Patel

  DOI：10.1080/15421406.2011.604589

  日期：2012.1.1

  Three binary systems, each consisting of two nonmesogenic compounds, viz. p-tolual-p-phenetidine (M.P. 108.5 degrees C) [A] as the common component, and Methyl p-(p'-n-butyloxy benzoyloxy) benzoate (M.P. 119.0 degrees C) [B-1], Ethyl-p-(p'-n-butyloxy benzoyloxy) benzoate (M.P. 94.0 degrees C) [B-2], and n-Butyl p-(p'-n-butyloxy benzoyloxy) benzoate (M.P. 130.0 degrees C) [B-3] as the second component, respectively, are studied with a view to understand the effect of terminal groups on nematic and/or smectic mesomorphism. Latent transition temperatures (LTT) of the constituent components A, B-1, B-2, and B-3 were determined by extrapolation. Binary system (A + B-1) induces a nematogenic mesophase while binary systems (A + B-2) and (A + B-3) both induce a smectic mesophase in addition to a nematic mesophase. Phase diagrams of the binary systems under investigation are plotted for the mole percent of component (A) versus the transition temperatures of each binary system as determined from polarizing optical microscopy. The texture of the nematic mesophase is of threaded type and that of the smectic mesophase is focal-conic fan shaped of the type smectic-A. Components A, B-1, B-2, and B-3 were prepared by established methods. Analytical data support the structure of molecules under investigation. Melting points of the constituent components match with data reported earlier.