1-[4-(4-n-propylcyclohexyl)-phenyl]-butane-1,3-dione | 77182-10-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-(4-n-propylcyclohexyl)-phenyl]-butane-1,3-dione
• 英文别名: 1-[4-(4-Propylcyclohexyl)phenyl]butane-1,3-dione
• CAS: 77182-10-6
• 化学式: C₁₉H₂₆O₂
• 分子量: 286.414
• InChiKey: KZJKSVPPSCTIHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 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：

  1,10-菲罗啉 、 1-[4-(4-n-propylcyclohexyl)-phenyl]-butane-1,3-dione 、 europium(III) chloride hexahydrate 以 乙醇 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Influence of Structural Anisotropy on Mesogenity of Eu(III) Adducts and Optical Properties of Vitrified Films Formed on their Base

  摘要：

  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).

  DOI：

  10.1021/acs.inorgchem.5b01617
• 作为产物：
  描述：

  乙酸乙酯 、 4-(反式-4-n-丙基环己基)苯乙酮 在 sodium amide 作用下， 以 乙醚 为溶剂， 反应 6.33h， 生成 1-[4-(4-n-propylcyclohexyl)-phenyl]-butane-1,3-dione
  参考文献：
  名称：

  Influence of Structural Anisotropy on Mesogenity of Eu(III) Adducts and Optical Properties of Vitrified Films Formed on their Base

  摘要：

  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).

  DOI：

  10.1021/acs.inorgchem.5b01617

文献信息

• US4297515A
  申请人：——

  公开号：US4297515A

  公开（公告）日：1981-10-27
• US4382012A
  申请人：——

  公开号：US4382012A

  公开（公告）日：1983-05-03
• 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).