4-(4'-decyloxybenzoyloxy)benzaldehyde | 56800-35-2

• 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'-decyloxybenzoyloxy)benzaldehyde
• 英文别名: 4-(4'-n-decyloxybenzoyloxy)benzaldehyde；4-formylphenyl 4-(decyloxy)benzoate；(4-formylphenyl) 4-decoxybenzoate
• CAS: 56800-35-2
• 化学式: C₂₄H₃₀O₄
• 分子量: 382.5
• InChiKey: WHJLOVBONWNLRI-UHFFFAOYSA-N

物化性质

• 熔点：
  62.5-63 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
• 沸点：
  526.9±35.0 °C(Predicted)
• 密度：
  1.071±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  28
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4'-decyloxybenzoyloxy)benzaldehyde 在 sodium chlorite 、 sodium dihydrogenphosphate dihydrate 、 间苯二酚 作用下， 以 水 、 叔丁醇 为溶剂， 以100%的产率得到4-(4-decyloxybenzoyloxy)benzoic acid
  参考文献：
  名称：

  Bent-core liquid crystal (LC) decorated gold nanoclusters: synthesis, self-assembly, and effects in mixtures with bent-core LC hosts

  摘要：

  我们首次合成了一系列硫醇、硫代乙酸酯和黄原酸酯封端的弯核衍生物，并利用硫醇封端的弯核化合物制备了金纳米团簇。研究人员通过偏光光学显微镜（POM）、差示扫描量热仪（DSC）、小角 X 射线散射（SAXS）和电光测试研究了这些弯曲核化合物的介形态特性。在这一系列化合物中，单黄原酸酯衍生物形成了矩形或六角形柱状相，而烷基链较短的单硫醇衍生物则形成了一种易变相，很有可能是冶炼相。所有其他弯曲核化合物和中间体只能形成无序或多层片状结晶固体改性物。由硫醇端衍生物制备的弯曲核功能化金纳米簇在缓慢蒸发溶剂后拍摄的高分辨率透射电子显微镜（HR-TEM）图像证明了自组装纳米簇阵列的形成。将这些金纳米团簇分散在两种结构相关的弯曲核低聚物宿主（一种形成 SmCPA，另一种带有末端双键，显示 Colr 相）中时，观察到表面等离子体共振发生了变化，这表明纳米粒子的聚集取决于低聚物宿主。最后，我们报告了不同浓度的这些纳米团簇对热特性以及母体 SmCPA 宿主的外加电压/电流响应的影响的初步结果。

  DOI：

  10.1039/b802554a
• 作为产物：
  描述：

  1-氯癸烷 在 4-二甲氨基吡啶 、 potassium permanganate 、 sodium dihydrogenphosphate 、 ammonium cerium (IV) nitrate 、 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.25h， 生成 4-(4'-decyloxybenzoyloxy)benzaldehyde
  参考文献：
  名称：

  2-Aryl benzazole derived new class of anti-tubercular compounds: Endowed to eradicate mycobacterium tuberculosis in replicating and non-replicating forms

  摘要：

  The high mortality rate and the increasing prevalence of Mtb resistance are the major concerns for the Tuberculosis (TB) treatment in this century. To counteract the prevalence of Mtb resistance, we have synthesized 2-aryl benzazole based dual targeted molecules. Compound 9m and 9n were found to be equally active against replicating and non-replicating form of Mtb (MIC(MABA) 1.98 and 1.66 mu g/ml; MIC(LORA) 2.06 and 1.59 mu g/ml respectively). They arrested the cell division (replicating Mtb) by inhibiting the GTPase activity of FtsZ with IC50 values 45 and 64 mu M respectively. They were also capable of kill Mtb in non-replicating form by inhibiting the biosynthesis of menaquinone which was substantiated by the MenG inhibition (IC50 = 11.62 and 7.49 mu M respectively) followed by the Vit-K2 rescue study and ATP production assay.

  DOI：

  10.1016/j.bioorg.2020.104170

文献信息

• BENT-CORE LC DECORATED GOLD NANOCLUSTERS
  申请人：Hegmann Torsten

  公开号：US20110062385A1

  公开（公告）日：2011-03-17

  Novel thiol-terminated bent-core liquid crystals (LCs) are used to decorate gold nanoparticles. Thioacetate or xanthate/xanthogenate functional groups are used to effect the attachment of the LCs to the gold nanoparticles. Such bent-core decorated nanoparticles may be dissolved in bent-core liquid crystal host media to provide polarizable systems which respond quickly to applied electric fields and exhibit other interesting and useful optical and electro-optic behaviour.

  新型硫醇端基的弯曲核液晶（LCs）被用来装饰金纳米颗粒。硫乙酸酯或黄酮/黄原酸酯官能团被用来将液晶连接到金纳米颗粒上。这种弯曲核装饰的纳米颗粒可以溶解在弯曲核液晶基质中，提供极化系统，对施加的电场快速响应，并展现其他有趣和有用的光学和电光行为。
• Optically active, three-ring calamitic liquid crystals: the occurrence of frustrated, helical and polar fluid mesophases
  作者：B. N. Veerabhadraswamy、D. S. Shankar Rao、S. Krishna Prasad、C. V. Yelamaggad

  DOI：10.1039/c4nj02011a

  日期：——

  mesophases such as the blue phase-I/II (BPI or BPII) and chiral nematic (N*) and chiral smectic C (SmC*) phases has been evidenced unequivocally with the help of polarizing microscopy, differential scanning calorimetry, X-ray diffraction and electrical switching. Besides, the occurrence of an unknown, metastable smectic (SmX) phase below the SmC* phase has been noted. This study shows that the length of

  在此，我们报道了五个（R）-4-[（（4-（辛烷-2-基氧基）苯基）亚氨基]甲基}苯基4-（n-烷氧基）的合成，表征，液晶行为和旋光特性。苯甲酸酯及其对映体，即（S）-4-[（（4-（辛烷-2-基氧基）苯基）亚氨基]甲基]甲基4-苯基（正烷氧基）苯甲酸酯。这些三环棒状介晶是通过（R）-/（S）-4-（辛烷-2-基氧基）苯胺与4-甲酰基苯基4-（正烷氧基）苯甲酸酯的酸催化缩合制备的。因此，每对对映异构体包含（R）-2-辛氧基和（S）-2-辛氧基手性尾巴。为了理解结构与属性的关系，在另一端结合的链烷烃链的长度已从正辛氧基变为正构烷氧基。-十二烷氧基。通过几种互补技术进行的详细研究揭示了液晶相的稳定性，这在应用科学中，尤其是在各种设备应用中，具有广阔的前景。特别是在偏光显微镜，差示扫描技术的帮助下，已经明确证明了中间相的出现，例如蓝色相I / II（BPI或BPII）和手性向列相（N *）和手性近晶C（SmC
• Ferroelectric Liquid Crystals: Synthesis and Thermal Behavior of Optically Active, Three-Ring Schiff Bases and Salicylaldimines
  作者：Bhyranalyar N. Veerabhadraswamy、Doddamane S. Shankar Rao、Channabasaveshwar V. Yelamaggad

  DOI：10.1002/asia.201800119

  日期：2018.4.16

  center in the other isomer as they are derived from (3 S)‐3,7‐dimethyloctyloxy and (3 R)‐3,7‐dimethyloctyloxy tails. To probe the structure–property correlations in each series, the length of the n‐alkoxy tail situated at the other end of the mesogens has been varied from n‐octyloxy to n‐dodecyloxy. The measurement of optical activity of these chiral mesogens was carried out by recording their specific

  具有螺旋上层结构特征的手性铁电层列C（SmC *）相已被广泛用于开发高分辨率微显示器，该显示器已被有效地用于制造各种便携式设备。尽管已经设计和合成了绝大多数具有SmC *相的旋光（手性）液晶（LC），但对新系统的搜索仍在继续，以实现能够满足最终用途技术要求和规格的液晶元。在此方向上我们的研究工作继续进行，在此我们报告了属于四个系列的二十种新的光学活性三环钙钛矿型液相色谱的设计，合成和热行为。前两个系列包括五对对映体席夫碱，而其他两个系列由五对对映体水杨醛亚胺组成。在每对光学异构体中，一个立体异构体中的手性中心构型与另一种异构体中的类似中心构型相反，因为它们衍生自（3 S）-3,7-二甲基辛氧基尾巴和（3  R）-3,7-二甲基辛氧基尾巴。为了探查每个系列中的结构与性质的相关性，位于介晶另一端的正烷氧基尾巴的长度已从正辛氧基变为正构烷氧基。十二烷氧基 这些手性液晶元的旋光性的测量是通过记录它
• The synthesis, mesomorphism and mesophase structure of anisotropic imines and their complexes with rhenium(i)
  作者：Xiao-Hua Liu、Benoît Henirich、Ian Manners、Daniel Guillon、Duncan W. Bruce

  DOI：10.1039/a908137b

  日期：——

  Highly anisotropic imine ligands have been synthesised and complexed to Re(I). Two series of ligands and complexes were obtained with various chain lengths, showing smectic and nematic phases for the ligands and only a nematic phase for the complexes. The identity of the crystal smectic phase in the ligands was studied by X-ray diffraction and identified as a crystal J phase.

  合成了高度各向异性的亚胺配体，并与Re(I)形成了络合物。获得了两系列配体和络合物，具有不同的链长，配体显示出层状相和向列相，而络合物仅显示向列相。通过X射线衍射研究了配体中的晶态层状相，并其被鉴定为晶态J相。
• Intercalated liquid-crystalline phases formed by symmetric dimers with an α,ω-diiminoalkylene spacer
  作者：Maja Šepelj、Andreja Lesac、Ute Baumeister、Siegmar Diele、H. Loc Nguyen、Duncan W. Bruce

  DOI：10.1039/b612517d

  日期：——

  Four series of symmetric, dimeric molecules with flexible α,ω-diiminoalkylene spacers have been synthesised and characterised by polarising optical microscopy, differential scanning calorimetry, and X-ray diffraction. The effects on the mesomorphism of the various alkylene spacer (number of methylene units m = 5 to 8) as well as the terminal alkoxy chain length (n = 4 to 14) on the mesomorphic properties have been studied. The compounds with an even-numbered spacer display, in addition to a nematic phase, various smectic phases whose nature depends on the ratio between the length of the terminal chain and the length of the spacer (n/m). A modulated Smà phase was found for the ratio n/m = 1 to 1.6 and a SmC/crystal G polymorphism emerges at n/m > 1.7. In contrast, all liquid-crystalline dimers with odd-numbered spacers display an intercalated B6 phase regardless of the chain length. The preference for intercalated structures is discussed based on dipolar considerations following electronic structure calculations using a model molecule.

  合成并表征了四系列对称的二聚体分子，这些分子具有灵活的α,ω-二氨基烷烃间隔基。通过偏振光学显微镜、差示扫描量热法和X射线衍射技术对其进行了表征。研究了不同烷烃间隔基（亚甲基单元数m=5至8）以及末端烷氧链长度（n=4至14）对其介晶特性的影响。具有偶数间隔基的化合物除了表现出一个向列相外，还展现出各种层状相，其性质取决于末端链的长度与间隔基长度之间的比率（n/m）。在比率n/m=1到1.6时发现了调制的SmA相，而在n/m>1.7时则出现了SmC/晶体G多型性。相反，所有具有奇数间隔基的液晶二聚体无论链长如何均表现出夹层B6相。基于使用模型分子的电子结构计算，讨论了夹层结构偏好的偶极考虑。