4-Pentyloxy-benzoic acid 4-formyl-3-hydroxy-phenyl ester | 820999-69-7

• 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-Pentyloxy-benzoic acid 4-formyl-3-hydroxy-phenyl ester
• 英文别名: 4-Formyl-3-hydroxyphenyl 4-(pentyloxy)benzoate；(4-formyl-3-hydroxyphenyl) 4-pentoxybenzoate
• CAS: 820999-69-7
• 化学式: C₁₉H₂₀O₅
• 分子量: 328.365
• InChiKey: INWRBOXSCRCMEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 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：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-氨基-1,2,4-三氮唑 、 4-Pentyloxy-benzoic acid 4-formyl-3-hydroxy-phenyl ester 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 4-(((4H-1,2,4-triazol-4-yl)imino)methyl)-3-hydroxyphenyl 4-(pentyloxy)benzoate
  参考文献：
  名称：

  Synthesis, Mesophase Behavior and Thermal Stability of Liquid Crystals Based on Different Central Linkages with Lateral Substitution and Terminal Heterocyclic Moieties

  摘要：

  The synthesis and evaluation of thermal behavior of two new mesogenic homologous series of liquid crystalline compound containing 1,2,4-triazole and isonicotinic acid ring at the terminus of the molecule have been reported, viz. 3-hydroxy-4-[(4-1,2,4-triazol-4-ylimino)methyl] phenyl 4-alkoxybenzoate (Series-I) and 3-hydroxy-4 (isonicotinoyl carbonohydrazonoyl) phenyl 4-alkoxy benzoate (Series-II).[GRAPHICS]The compounds of both the series have been characterized by elemental Analysis, FT-IR, mass spectrometry, (1)H-NMR and (13)C-NMR. Phase transition temperatures and the thermal parameters were obtained from differential scanning calarimetry (DSC). The texture observation was performed under polarizing optical microscopy (PMO) attached with Mettler hot stage. All the derivatives are mesomorphic in nature showing nematic phase as well as higher members of both the series show smectic phase. The use of triazole and isonicotinic acid as a terminal group has a very dramatic effect on the melting and clearing points. Similarly lateral -OH substitution on central phenyl ring shows higher clearing temperature due to intermolecular hydrogen bonding. The mesomorphic behavior has been analyzed in terms of structural property relation.

  DOI：

  10.1080/15421400903054501
• 作为产物：
  描述：

  4-正戊氧基苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 乙醚 、 苯 为溶剂， 生成 4-Pentyloxy-benzoic acid 4-formyl-3-hydroxy-phenyl ester
  参考文献：
  名称：

  显示近晶C相的新型液晶同源系列

  摘要：

  合成了N-[4-(4-烷氧基苯甲酰氧基)亚苄基]-4-丁基苯胺及其2位羟基衍生物的液态结晶同系系列，然后使用差示扫描量热仪测定液晶相转变和偏光显微镜。所有成员都表现出向列相，对于具有较长烷氧基链的同系物可以观察到近晶C相。

  DOI：

  10.1246/bcsj.60.1153

文献信息

• The Preparation and Thermal Properties of Terminal Disubstituted<i>N</i>-(4-Benzoyloxybenzylidene)anilines
  作者：Shunsuke Takenaka、Tetsuya Ikemoto、Shigekazu Kusabayashi

  DOI：10.1246/bcsj.59.3965

  日期：1986.12

  The homologous series of N-[4-(4-n-alkoxybenzoyloxy)benzylidene]-4-(2-methylbutoxy)aniline (1), and N-[4-[4-(2-methylbutoxy)benzoyloxy]benzylidene]-4-n-alkoxyaniline (2), and N-[4-(4-n-alkoxybenzoyloxy)-3-hydroxybenzylidene]-4-(2-methylbutoxy)aniline (3) where the 2-methylbutoxyl group has an S-configuration, have been prepared. Series 1 and 2 form a chiral smectic C (SC*) phase in addition to a cholesteric

  N-[4-(4-n-烷氧基苯甲酰氧基)苯甲酰氧基]-4-(2-甲基丁氧基)苯胺(1)和N-[4-[4-(2-甲基丁氧基)苯甲酰氧基]苯亚甲基]-的同系物4-n-烷氧基苯胺 (2) 和 N-[4-(4-n-烷氧基苯甲酰氧基)-3-羟基亚苄基]-4-(2-甲基丁氧基)苯胺 (3) 其中 2-甲基丁氧基具有 S-构型，已经准备好了。除了胆甾型 (Ch) 和手性近晶 G (SG*) 相之外，系列 1 和系列 2 还形成手性近晶 C (SC*) 相，系列 3 形成 (SC*) 和 Ch 相。
• End-on and Side-on Nematic Liquid Crystal Dendrimers
  作者：Laura Pastor、Joaquín Barberá、Mark McKenna、Mercedes Marcos、Rafael Martín-Rapún、José Luis Serrano、Geoffrey R. Luckhurst、Azizah Mainal

  DOI：10.1021/ma048450p

  日期：2004.12.1

  A group of nematic materials based on poly(propyleneimine) dendrimers (PPI) containing two types of mesogenic subunits were synthesized. The presence of different types of mesogenic group, the topology of the attachment to the core (end-on and side-on), and the chemical nature of the linking connection to the PPI scaffold (imine or amide) were used to tailor the mesomorphic properties. The materials

  合成了一组基于含两种介晶亚基的聚（亚丙基亚胺）树状大分子（PPI）的向列材料。不同类型的介晶基团的存在，与核的连接的拓扑结构（端对端和侧对面）以及与PPI支架（亚胺或酰胺）的连接连接的化学性质用于定制介晶特性。材料通过多种技术进行了表征，包括1 H，13C NMR光谱，GPC，MALDI-TOF MS，DSC，POM和X射线衍射。发现大多数材料一旦经历了第一次向各向同性相的转变，就会抑制其结晶状态。大多数化合物在接近或低于室温的温度下会显示出玻璃化转变，并伴有宽温度范围的中间相。合成的所有侧向树枝状大分子均显示向列型中间相，而端向树枝状大分子则根据介晶单元末端链的长度（n = 2、4、5为向列型）显示不同的中间相。的2使用1 H NMR技术来研究由侧置上形成树枝状向列相的对称性（ģ= 3）。这些研究表明，向列相的对称性是单轴的。它们还允许研究相的取向顺序和场致指向矢对准的速率。
• Bayle, J.-P.; Bui, E.; Perez, F., Bulletin de la Societe Chimique de France, 1989, # 4, p. 532 - 536
  作者：Bayle, J.-P.、Bui, E.、Perez, F.、Courtieu, J.

  DOI：——

  日期：——
• Synthesis, Characterization, and Mesomorphic Properties of New Liquid-Crystalline Compounds involving Ester–Azomethine Central Linkages, Lateral Substitution, and a Thiazole Ring
  作者：B. T. Thaker、Pranay Patel、A. D. Vansadia、H. G. Patel

  DOI：10.1080/15421400601150379

  日期：2007.5.10
• Raman Spectroscopic Study of Liquid Crystalline N-[4-(4-<i>n</i>-Alkoxybenzoyloxy)-2-Hydroxybenzylidene]-Chloroanilines
  作者：A. Takase、K. Nonaka、T. Koga、S. Sakagami

  DOI：10.1080/10587250108028258

  日期：2001.3.1

  N-[4-(4-n-Alkoxybenzoyloxy)-2-hydroxy-benzylidene]-chloroanilines[nAHmC(n; n=1-8, m; m=2: ortho, m=3: meta. m=4: para)] were synthesized. They exhibited a nematic phase. In addition. 8AH4C exhibited the smectic C and A phases, The temperature dependence of their Raman spectra has been observed in the spectral range of 20-1800 cm(-1). In a group of nAHmC. the Raman band at about 980 cm(-1) decreased in intensity and wavenumber through the solid-liquid crystal phase transition. In the other group, the corresponding band increased through the phase transition. The bands have been assigned to the CH out-of-plane vibration(980 cm(-1)) of the benzene ring. Such a behavior can be explained by the molecular conformations with different twist angles of the aniline ring to the salicylaldimino part of the molecule in conjunction with information gained in the photochromic studies of N-2-hydroxy-benzylidenanilines. The temperature dependence of the 1190 cm(-1) band ascribed to the ring-N bond stretching vibration gave support to the result of the CH deformation vibration.