4-(benzyloxy)phenyl 4-(dodecyloxy)benzoate | 124501-19-5

• 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-(benzyloxy)phenyl 4-(dodecyloxy)benzoate
• 英文别名: 4'-benzyloxyphenyl 4-dodecyloxybenzoate；4-Benzyloxyphenyl 4-dodecyloxybenzoate；(4-phenylmethoxyphenyl) 4-dodecoxybenzoate
• CAS: 124501-19-5
• 化学式: C₃₂H₄₀O₄
• 分子量: 488.667
• InChiKey: IKSRTCKFYHAFMH-UHFFFAOYSA-N

物化性质

• 沸点：
  614.4±45.0 °C(Predicted)
• 密度：
  1.055±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  36
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 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-(benzyloxy)phenyl 4-(dodecyloxy)benzoate 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-dodecyloxyphenyl)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：

  4-(癸氧基)苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 丁酮 为溶剂， 反应 5.0h， 生成 4-(benzyloxy)phenyl 4-(dodecyloxy)benzoate
  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。
• Optically active compound having XI-valerolactone ring and liquid
  申请人：Mitsubishi Rayon Company Ltd.

  公开号：US05045228A1

  公开（公告）日：1991-09-03

  An optically active compound having a .delta.-valerolactone ring which is a ferroelectric liquid crystal and is represented by the following general formula (I): ##STR1## wherein m is an integer of from 1 to 8, Z is a group represented by the following formula: ##STR2## in which each of l and k is a number of 1 or 2 and l and k satisfy the requirement of 2.ltoreq.(l+k).ltoreq.3, X stands for a direct bond, ##STR3## Y stands for ##STR4## and A.sub.1 and A.sub.2 independently stand for --H, --F or --Cl, ##STR5## R stands for ##STR6## in which n is an integer of from 1 to 18, and * indicates the asymmetric carbon atom.

  具有.delta.-戊内酯环的光学活性化合物，为铁电液晶，其通式（I）如下所示：其中m为1至8的整数，Z为以下通式所代表的基团：其中l和k各自为1或2的数字，且l和k满足2≤(l+k)≤3，X代表直接键，Y代表，A.sub.1和A.sub.2独立地代表--H，--F或--Cl，R代表，其中n为1至18的整数，*表示不对称碳原子。
• Photoconductive bent-core liquid crystalline radicals with a paramagnetic polar switchable phase
  作者：Kilingaru I. Shivakumar、Damian Pociecha、Jacek Szczytko、Szymon Kapuściński、Hirosato Monobe、Piotr Kaszyński

  DOI：10.1039/c9tc05764a

  日期：——

  open-shell core permits efficient π–π stacking, which results in the formation of B2 and soft crystalline phases above 100 °C. Optical, XRD and dielectric analyses of 1[12,12] indicate that the ground state of the observed B2 phase is polar antiferroelectric of type SmCAPA exhibiting tristable electro-optical switching. SQUID and EPR measurements revealed strong antiferromagnetic spin–spin exchange interactions

  描述了一系列自组织的弯曲核导数1 [12，n ]，其中包含高度π离域的稳定基团作为中心角结构元素。开壳核的平面度允许有效的π-π堆积，从而导致B2和高于100°C的软结晶相的形成。的光学，XRD和介电分析1 [12,12]表明，所观察到的B2相的基态是类型的SMC极性反铁电甲P甲显示三稳态的电光切换。SQUID和EPR测量显示在各向同性相以下有强反铁磁自旋-自旋交换相互作用，据估计在θ = −46 cm -1时居里-魏斯定律。在B2相，观察到短暂的光电导性与空穴载流子迁移率μ ħ的1.4×10 -4厘米2 V -1小号-1。
• 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。
• Mesomorphic compound having .beta.-hydroxycarboxyl group as chiral
  申请人：Mitsubishi Rayon Co., Ltd.

  公开号：US04925591A1

  公开（公告）日：1990-05-15

  Disclosed is a mesomorphic compound having a .beta.-hydroxycarboxyl group as the chiral source, which is represented by the formula: ##STR1## wherein m and n are integers of from 1 to 18, X.sub.1 and X.sub.2 independently represent fluorine, chlorine or hydrogen, Y represents ##STR2## or --O--, Z represents a direct bond, ##STR3## --CH hd 2O-- or --OCH.sub.2 --, and * indicates the asymmetric carbon. The mesomorphic compound is valuable as a ferroelectric liquid crystal or an additive to a ferroelectric liquid crystal or to a compound showing the SmC phase and having no chiral group.

  本发明涉及一种具有.beta.-羟基羧酸基作为手性源的中间相化合物，其化学式表示为：##STR1## 其中m和n是1到18的整数，X.sub.1和X.sub.2独立地表示氟、氯或氢，Y表示##STR2## 或--O--，Z表示直接键，##STR3## --CH hd 2O--或--OCH.sub.2--，*表示不对称碳。该中间相化合物可用作铁电液晶或铁电液晶的添加剂，或用于没有手性基团且显示SmC相的化合物中。