4-(4-octyloxybenzoyloxy)-1-benzyloxybenzene | 148731-07-1

• 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-(4-octyloxybenzoyloxy)-1-benzyloxybenzene
• 英文别名: 4-(Benzyloxy)phenyl 4-(octyloxy)benzoate；(4-phenylmethoxyphenyl) 4-octoxybenzoate
• CAS: 148731-07-1
• 化学式: C₂₈H₃₂O₄
• 分子量: 432.56
• InChiKey: YIGBLGLSNHXPES-UHFFFAOYSA-N

物化性质

• 沸点：
  573.8±40.0 °C(Predicted)
• 密度：
  1.089±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  32
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-octyloxybenzoyloxy)-1-benzyloxybenzene 在 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 丁酮 为溶剂， 反应 5.75h， 生成 4-{[(4-octyloxyphenyl)carbonyl]oxy}phenyl thiophene-3-carboxylate
  参考文献：
  名称：

  Synthesis and Characterization of Two Phenyl Ring Core-Based Thiophene Mesogens

  摘要：

  Novel thiophene mesogens built with two phenyl ring core and alkoxy terminal chains are synthesized by multistep route. The phenyl ring core is connected to thiophene by ester unit at (a) 2-position and (b) 3-position to yield 2-series of mesogens. The structural characterization of them is accomplished by using spectroscopy tools and the mesophase characteristics are evaluated by HOPM and DSC. The C-13 chemical shifts of representative mesogens calculated from DFT by quantum chemical calculations are compared with experimental C-13 chemical shifts and further utilized for structural assignment of core unit carbons. A good agreement between calculated and experimental values is noticed. An enantiotropic nematic phase is confirmed for all the mesogens and accordingly threaded nematic texture in HOPM is observed and is supported by DSC transition enthalpy values. The mesophase as well as thermal stabilities of the mesogens are discussed with reference to terminal chain length and position of the linking unit on thiophene.

  DOI：

  10.1080/15421406.2013.790635
• 作为产物：
  描述：

  1-溴辛烷 在 氯化亚砜 、 potassium carbonate 、 三乙胺 、 potassium hydroxide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 、 丁酮 为溶剂， 反应 11.5h， 生成 4-(4-octyloxybenzoyloxy)-1-benzyloxybenzene
  参考文献：
  名称：

  Synthesis and Characterization of Two Phenyl Ring Core-Based Thiophene Mesogens

  摘要：

  Novel thiophene mesogens built with two phenyl ring core and alkoxy terminal chains are synthesized by multistep route. The phenyl ring core is connected to thiophene by ester unit at (a) 2-position and (b) 3-position to yield 2-series of mesogens. The structural characterization of them is accomplished by using spectroscopy tools and the mesophase characteristics are evaluated by HOPM and DSC. The C-13 chemical shifts of representative mesogens calculated from DFT by quantum chemical calculations are compared with experimental C-13 chemical shifts and further utilized for structural assignment of core unit carbons. A good agreement between calculated and experimental values is noticed. An enantiotropic nematic phase is confirmed for all the mesogens and accordingly threaded nematic texture in HOPM is observed and is supported by DSC transition enthalpy values. The mesophase as well as thermal stabilities of the mesogens are discussed with reference to terminal chain length and position of the linking unit on thiophene.

  DOI：

  10.1080/15421406.2013.790635

文献信息

• The synthesis and mesomorphism of di-, tetra- and hexa-catenar liquid crystals based on 2,2′-bipyridine
  作者：Kathryn E. Rowe、Duncan W. Bruce

  DOI：10.1039/a706400d

  日期：——

  2,2′-Bipyridines are known to coordinate to a wide variety of metal centres. In this paper, liquid-crystalline two-chained (dicatenar), four-chained (tetracatenar) and six-chained (hexacatenar) bipyridines are synthesised and their mesomorphism is described. For the tetracatenar bipyridines, a full homologous series, from tetramethoxy to tetratetradecyloxy, was synthesised, and the phase diagram showed a classic progression from nematic and smectic C phases at short chain length, through a cubic phase to a columnar phase.

  2,2'-联吡啶已知可与多种金属中心配位。本文合成了液晶态的二链（二联）、四链（四联）和六链（六联）联吡啶，并描述了它们的介晶性质。对于四联联吡啶，合成了一系列完整的同系物，从四甲氧基到四十四烷氧基，相图显示了从短链长度的向列相和近晶C相，经过立方相到柱状相的经典演化过程。
• 1,1?-Disubstituted Ferrocene-Containing Thermotropic Liquid Crystals of structure [Fe{(?5-C5H4)COOC6H4XC6H4OCnH2n+1}2] (X ? OOC or COO). Influence of the orientation of the central ester function on the mesogenic properties
  作者：Robert Deschenaux、Jean-Lue Marendaz、Julio Santiago

  DOI：10.1002/hlca.19930760210

  日期：1993.3.24

  The two series I and II of 1,1′ -disubstituted ferrocenes which differ by the direction of the ester function included in the rigid organic part were synthesized and their liquid crystal properties examined. These latter were found to be strongly dependent on the orientation of the connecting ester group and on the alkyl chain length.

  合成了在刚性有机部分中包括的酯功能的方向不同的1，1′-二取代的二茂铁的两个系列I和II，并且研究了它们的液晶性质。已发现后者很大程度上取决于连接酯基的取向和烷基链长。
• Tinh, Nguyen Huu; Salleneuve, C.; Babeau, A., Molecular Crystals and Liquid Crystals (1969-1991), 1987, vol. 151, p. 147 - 154
  作者：Tinh, Nguyen Huu、Salleneuve, C.、Babeau, A.、Galvan, J. M.、Destrade, C.

  DOI：——

  日期：——
• Takenaka, S.; Sakurai, Y.; Takeda, H., Molecular Crystals and Liquid Crystals (1969-1991), 1989, vol. 177, p. 59 - 70
  作者：Takenaka, S.、Sakurai, Y.、Takeda, H.、Kusabayashi, S.、Sugiura, H.、Morita, H.

  DOI：——

  日期：——
• Sakurai, Y.; Tamatani, A.; Teshima, K., Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1992, vol. 213, p. 163 - 172
  作者：Sakurai, Y.、Tamatani, A.、Teshima, K.、Kusabayashi, S.、Takenaka, S.

  DOI：——

  日期：——