Benzoic acid, 4-pentyl-, 4-formylphenyl ester | 62808-18-8

• 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: Benzoic acid, 4-pentyl-, 4-formylphenyl ester
• 英文别名: (4-formylphenyl) 4-pentylbenzoate
• CAS: 62808-18-8
• 化学式: C₁₉H₂₀O₃
• 分子量: 296.366
• InChiKey: ANYUURDRAAYJOH-UHFFFAOYSA-N

物化性质

• 沸点：
  449.2±38.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3,4-三氟苯胺 、 Benzoic acid, 4-pentyl-, 4-formylphenyl ester 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 4APE
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Fluorinated Schiff's Base Esters Containing Alkyl and Alkoxy End Groups

  摘要：

  Two series of fluorinated Schiff's base esters have been synthesized and characterized. Their chemical structures were identified by FTIR, 1H NMR, and elemental analysis (EA). Their mesomorphic properties were studied by polarizing optical, microscopy (POM) and differential scanning calorimeter (DSC). It was found that most of the compounds with alkyl end group exhibited enantiotropic smectic A and nematic phase; while that with alkoxyl behaved differently, some exhibited enantiotropic smectic A and nematic phase; others exhibited monotropic smectic A and enantiotropic nematic phase or unique enantiotropic nematic phase. And for both series, their melting point and clearing point temperature decreased and thermal ranges of mesophase increased with the length of their end groups (n). Furthermore, it was also found that the increase of n was propitious to the stability of smectic phase but went against for that of nematic.

  DOI：

  10.1080/15421400802198268
• 作为产物：
  描述：

  4-正戊基苯甲酸 、 对羟基苯甲醛 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 Benzoic acid, 4-pentyl-, 4-formylphenyl ester
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Fluorinated Schiff's Base Esters Containing Alkyl and Alkoxy End Groups

  摘要：

  Two series of fluorinated Schiff's base esters have been synthesized and characterized. Their chemical structures were identified by FTIR, 1H NMR, and elemental analysis (EA). Their mesomorphic properties were studied by polarizing optical, microscopy (POM) and differential scanning calorimeter (DSC). It was found that most of the compounds with alkyl end group exhibited enantiotropic smectic A and nematic phase; while that with alkoxyl behaved differently, some exhibited enantiotropic smectic A and nematic phase; others exhibited monotropic smectic A and enantiotropic nematic phase or unique enantiotropic nematic phase. And for both series, their melting point and clearing point temperature decreased and thermal ranges of mesophase increased with the length of their end groups (n). Furthermore, it was also found that the increase of n was propitious to the stability of smectic phase but went against for that of nematic.

  DOI：

  10.1080/15421400802198268

文献信息

• Broad Nematic Phases with High Clearing Points
  作者：Maged A. Osman

  DOI：10.1002/hlca.19820650811

  日期：1982.12.15

  4-(4′dime thylaminobenzoyloxy)benzylidene-4″-cyanoanmlines were synthesized. They show broad nematic phases with high nematic isotropic transitions. Lateral Clsubstituents decrease the clearing points of these liquid crystals by about 80°. The intermediate 4-(4′-alkylbenzoyloxy)benzaldehydes are monotropic nematic.

  合成了直链的4-（4'-烷基苯甲酰氧基）-，4-（4'-甲基芳基苯甲酰氧基）-和4-（4'二苯硫基氨基苯甲酰氧基）亚苄基-4″-氰基亚胺。它们显示出具有高向列各向同性转变的宽向列相。横向Cl取代基使这些液晶的澄清点降低约80°。中间体4-（4'-烷基苯甲酰氧基）苯甲醛是单向性的向列型。
• Malthete, J.; Billard, J., 1976, vol. 34, p. 117 - 121
  作者：Malthete, J.、Billard, J.

  DOI：——

  日期：——
• Tschierske, C.; Zaschke, H., Journal fur praktische Chemie (Leipzig 1954), 1988, vol. 330, # 1, p. 1 - 14
  作者：Tschierske, C.、Zaschke, H.

  DOI：——

  日期：——
• Tschierske, C.; Kresse, H.; Zaschke, H., Molecular Crystals and Liquid Crystals (1969-1991), 1990, vol. 188, # 1, p. 1 - 12
  作者：Tschierske, C.、Kresse, H.、Zaschke, H.、Demus, D.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Fe: Org.Verb.A4, 5.1.4.3.2, page 122 - 125
  作者：

  DOI：——

  日期：——