1-[4-(4-propylcyclohexyl)phenyl]octane-1,3-dione | 1310804-60-4

• 英文名称: 1-[4-(4-propylcyclohexyl)phenyl]octane-1,3-dione
• CAS: 1310804-60-4
• 化学式: C₂₃H₃₄O₂
• 分子量: 342.522
• InChiKey: GCOXPGMXEMCJLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  氯化铥(III) 、 5-十七烷基-2-(5-十七烷基吡啶-2-基)吡啶 、 1-[4-(4-propylcyclohexyl)phenyl]octane-1,3-dione 在 NaOH 作用下， 以 乙醇 为溶剂， 生成 tris[1-(4-(4-propylcyclohexyl)phenyl)octane-1,3-diono]-[5,5'-di(heptadecyl)-2,2'-bipyridine]thulium
  参考文献：
  名称：

  Anisotropy of the magnetic susceptibility of mesogeneous lanthanide complexes

  摘要：

  Liquid crystalline adducts of lanthanide tris(beta-diketonates) with 5,5'-diheptadecyl-2,2'-bipiridine forming a nematic mesophase were obtained. Molar constants of magnetic birefringence and the magnetic susceptibility anisotropy of synthesized complexes were determined according to the magnetic birefringence in solution. The values of magnetic susceptibility anisotropy are two orders of magnitude higher than those of organic liquid crystals.

  DOI：

  10.1134/s0036024411080085
• 作为产物：
  描述：

  正己酸乙酯 、 4-(反式-4-n-丙基环己基)苯乙酮 在 sodium amide 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 6.33h， 以63%的产率得到1-[4-(4-propylcyclohexyl)phenyl]octane-1,3-dione
  参考文献：
  名称：

  基于liquid（ІІІ）和complex（complex）配合物的杂化体系的合成和发光性质

  摘要：

  基于5,5'-二（十七烷基）-2,2'-联吡啶三（β-二酮酸酯）镧（III），euro（III）和and的制备了具有不同组分比例的混合液晶系统III（III）配合物及其液晶和发光性能已得到研究。已经发现了发光强度与组分的浓度之间的关系，并且已经提出了在混合系统中光激发的可能机理。

  DOI：

  10.1134/s1070363215120245

文献信息

• Structure of the LnIII tris(β-diketonate) adduct with substituted bipyridine determined by the ESR and computer simulation data
  作者：M. V. Strelkov、R. B. Zaripov、V. I. Dzhabarov、A. A. Knyazev、K. M. Salikhov、V. K. Voronkova、Yu. G. Galyametdinov

  DOI：10.1007/s11172-008-0202-9

  日期：2008.7

  The structural analog of liquid-crystalline adducts of lanthanides containing nitroxyl radicals in the bipyridine moiety was synthesized. The distances between the radicals in the ligand and adduct were determined by the pulse ESR technique. The obtained data were used as a criterion for the adequate choice of the parameters of the semiempirical quantum chemical calculation of the structures of the LnIII coordination compounds containing paramagnetic centers.

  合成了双吡啶基中含有硝基的镧系元素液晶加合物的结构类似物。配体和加合物中自由基之间的距离是通过脉冲 ESR 技术测定的。所获得的数据被用作适当选择含有顺磁中心的 LnIII 配位化合物结构的半经验量子化学计算参数的标准。
• Effect of Magnetic and Electric Field on the Orientation of Rare-Earth-Containing Nematics
  作者：Andrey A. Knyazev、Aleksandr S. Krupin、Aleksandr P. Kovshik、Yuriy G. Galyametdinov

  DOI：10.1021/acs.inorgchem.0c02500

  日期：2021.1.18

  5′-bis(heptadecyl)-2,2′-bipyridine (bpy17-17). The stoichiometry of the complexes is [Ln(CPDk3-5)3bpy17-17], where Ln is a trivalent rare-earth ion (La, Sm, Eu, Gd, Tb, Dy, Ho, Tm, and Yb). Although the ligands themselves do not form any mesophase, the respective metal complexes produce nematic and smectic A phases. The mesogenic rare-earth complexes were characterized by NMR, MS, POM, DSC, X-ray diffraction,

  我们报道了以新合成的配体为代表的含稀土金属成矿物质，这些配体由β-二酮1-（4-（4-（4-丙基环己基）苯基）辛烷-1,3-二酮（CPD k 3-5）和Lewis碱5代表， 5′-双（十七烷基）-2，2′-联吡啶（bpy 17-17）。配合物的化学计量为[Ln（CPD k 3-5）3 bpy 17-17]，其中Ln是三价稀土离子（La，Sm，Eu，Gd，Tb，Dy，Ho，Tm和Yb）。尽管配体本身不形成任何中间相，但是各个金属络合物产生向列相和近晶A相。通过NMR，MS，POM，DSC，X射线衍射，磁化率测量和介电谱对介晶稀土配合物进行了表征。金属络合物在中间相中显示出非常大的磁各向异性。因此，这些向列型液晶可以容易地被外部的低阈值磁场取向。
• A facile approach for the creation of heteroionic lanthanidomesogens-containing uniform films with enhanced luminescence efficiency
  作者：Andrey A. Knyazev、Maksim E. Karyakin、Benoît Heinrich、Bertrand Donnio、Yuriy G. Galyametdinov

  DOI：10.1016/j.dyepig.2020.109050

  日期：2021.3

  It was shown that the luminescence intensity per mole of the emitting substance in films obtained from mixtures of Eu(III) and Tb(III) complexes increases about three fold when compared with the individual Eu(III) complex. This enhancement of the luminescence was interpreted as the consequence of the very effective intermolecular energy transfer from Tb(III) to Eu(III) complexes, templated by the frozen

  合成了在近温度范围内形成中间相的Eu（III），Tb（III），Gd（III）和La（III）三（β-二酮酸酯）加合物。这些镧系元素致病菌的近乎结构特征使其适合于获得均一的二元混合物，该混合物在冷却时会在宽范围的镧系元素络合物上玻璃化成光学各向同性，自组织的近晶膜。通过偏振光学显微镜，差示扫描量热法和小角X射线散射研究了所得膜中组分的分布及其超分子结构。混合物表现为它们的同源单组分，在室温以上表现出近晶A和向列相，并在室温下形成各向异性玻璃。已经建立了发光对所研究混合物中每种组分的比例的依赖性，并提出了光激发机理。结果表明，与单独的Eu（III）配合物相比，由Eu（III）和Tb（III）配合物的混合物制得的薄膜中每摩尔发光物质的发光强度提高了约三倍。发光的这种增强被认为是非常有效的分子间能量从Tb（III）转移到Eu（III）配合物的结果，该配合物由冷冻的近晶A超分子组织作为模板。因此，
• Thermosensitive chameleon films based on polystyrene doped with complexes of europium(III) and terbium(III)
  作者：Andrey A. Knyazev、Ruzanna M. Ziyatdinova、Aleksandr S. Krupin、Yuriy G. Galyametdinov

  DOI：10.1016/j.jallcom.2024.174793

  日期：2024.8

  complexes of Eu(III) and Tb(III) tris(β-diketonates) with Lewis bases were synthesized. The spin-coating technique was used to produce composite films consisting of polystyrene (PS) polymer doped with mixtures of Eu(III) and Tb(III) complexes with different ratio of luminophores. An increase in the content of the Tb(III) complexes in the 5 %Eu x%Tb films intensifies emission of both the Tb and Eu ions due

  合成了Eu(III)和Tb(III)三(β-二酮)与路易斯碱的新配合物。采用旋涂技术制备了由不同发光团比例的Eu(III)和Tb(III)配合物混合物掺杂的聚苯乙烯(PS)聚合物组成的复合薄膜。 5%Eu x%Tb 薄膜中 Tb(III) 配合物含量的增加，由于分子间能量转移的发生，增强了 Tb 和 Eu 离子的发射，并导致材料的光稳定性显着增加（损失发光强度比不超过0.5%/小时）。这些光稳定薄膜被描述为潜在的发光温度传感器。在 298-383K 范围内研究了其发光强度和寿命的温度敏感性，薄膜的最大绝对灵敏度达到 6.00 µs/K，超过了所有已知的用于测量生理温度的含稀土热传感器。与薄膜可变的发光颜色相结合，这种灵敏度使这些材料有望成为用于原位温度测量的比色热传感器。
• Influence of Structural Anisotropy on Mesogenity of Eu(III) Adducts and Optical Properties of Vitrified Films Formed on their Base
  作者：Andrey A. Knyazev、Aleksandr S. Krupin、Elena Yu. Molostova、Ksenia A. Romanova、Yuriy G. Galyametdinov

  DOI：10.1021/acs.inorgchem.5b01617

  日期：2015.9.21

  A new series of europium adducts with the general formula Eu(CPDk(3-cnH2n+1)),Phen, where CPDk(3-CnH2n+1) denotes beta-diketones and Phen is 1,10-phenanthroline, was synthesized. The obtained mesogenic complexes were heated to the temperatures of the isotropic liquid state and then cooled. The complexes having short CH3 and C2H5 substituents crystallized upon cooling, and the complexes with longer substituents from C3H7 to C6H13 underwent a glass transition with the formation of optically transparent amorphous films. Inside the series the complexes with C7H15 and C8H17 substituents exhibited a unusual smectic C mesomorphism for lanthanidomesogens. On the basis of quantum-chemical simulations and the results of small-angle X-ray scattering the dependence between the anisotropy of Eu(III) complexes with various ligand environments and their supramolecular organization was found. The synthesized Eu(III) complexes in the solid state show intense red photoluminescence upon irradiation by ultraviolet light (lambda(max) - 337 nn).