1-phenyl-3-methyl-4-(2-ethylbutyryl)-pyrazol-5-one | 403842-67-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 1-phenyl-3-methyl-4-(2-ethylbutyryl)-pyrazol-5-one
• 英文别名: 4-(2-ethylbutanoyl)-1-phenyl-3-methyl-1H-pyrazol-5(4H)-one；4-(2-Ethylbutanoyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one；4-(2-ethylbutanoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
• CAS: 403842-67-1
• 化学式: C₁₆H₂₀N₂O₂
• 分子量: 272.347
• InChiKey: GZXXUMLJIYZIBA-UHFFFAOYSA-N

物化性质

• 沸点：
  434.9±38.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  lanthanum(III) nitrate hexahydrate 、 1-(4-vinylbenzyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole 、 1-phenyl-3-methyl-4-(2-ethylbutyryl)-pyrazol-5-one 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 以76%的产率得到
  参考文献：
  名称：

  Efficient and high colour-purity green-light polymer light-emitting diodes (PLEDs) based on a PVK-supported Tb³⁺-containing metallopolymer

  摘要：

  对于含有Tb³⁺的金属聚合物，实现了颜色纯度的绿光PLED（24.63 cd A⁻¹，7.81％和6.45 lm W⁻¹）并且效率下降较低。

  DOI：

  10.1039/c7tc02092a
• 作为产物：
  描述：

  2-乙基丁酰氯 、 依达拉奉 在 barium(II) hydroxide 、 calcium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 10.0h， 以43%的产率得到1-phenyl-3-methyl-4-(2-ethylbutyryl)-pyrazol-5-one
  参考文献：
  名称：

  Efficient and high colour-purity green-light polymer light-emitting diodes (PLEDs) based on a PVK-supported Tb³⁺-containing metallopolymer

  摘要：

  对于含有Tb³⁺的金属聚合物，实现了颜色纯度的绿光PLED（24.63 cd A⁻¹，7.81％和6.45 lm W⁻¹）并且效率下降较低。

  DOI：

  10.1039/c7tc02092a

文献信息

• Pyrazolone lanthanide complexes
  申请人：——

  公开号：US20040027821A1

  公开（公告）日：2004-02-12

  Photoluminescent compounds are described having no-ligand. These have formula (I) in which Ln represents a lanthanide ion, each of X, Y, and Z, which may be the same or different, represents hydrogne, an optionally substituted aromatic group or an optionally substituted aliphatic or cycloaliphatic group, such that at least one of X, Y and Z represents a said aromatic group which is conjugated with the pyrazolone ring system and such that when X or Y represents a said group, said group can optionally be attached via a hetero atom. These compounds possess useful electroluminescent properties such that they can be used in electroluminescent devices.

  本文描述了无配体的荧光化合物，其化学式为（I），其中Ln代表镧系离子，X、Y和Z分别表示氢原子、可选取代的芳香基团或可选取代的脂肪族或环状脂肪族基团，其中至少一个X、Y或Z代表与吡唑酮环系统共轭的芳香基团，且当X或Y代表该基团时，该基团可通过杂原子连接。这些化合物具有有用的电致发光特性，因此可以用于电致发光器件中。
• Efficient Electroluminescence from a New Terbium Complex
  作者：Hao Xin、Fu You Li、Mei Shi、Zu Qiang Bian、Chun Hui Huang

  DOI：10.1021/ja034087a

  日期：2003.6.1

  Although lanthanide complexes have distinct advantages for use as light-emitting materials, such as sharp emission bands and 100% quantum efficiency theoretically, their performance was far below what is expected. A new terbium complex was designed and synthesized. Devices using it as an emitter present satisfactory performance, with the highest brightness of 12 000 cd/m2 and power efficiency of 11.3 lm/W, which is nearly 1 order of magnitude higher than what was reported previously. Comparison with analogous complexes indicated that this result originated from the terbium complex's well-balanced charge-transport properties.
• [EN] PYRAZOLONE LANTHANIDE COMPLEXES<br/>[FR] COMPLEXES PYRAZOLONE LANTHANIDE
  申请人：ISIS INNOVATION

  公开号：WO2002020692A1

  公开（公告）日：2002-03-14

  Photoluminescent compounds are described having no-ligand. These have formula (I) in which Ln represents a lanthanide ion, each of X, Y, and Z, which may be the same or different, represents hydrogne, an optionally substituted aromatic group or an optionally substituted aliphatic or cycloaliphatic group, such that at least one of X, Y and Z represents a said aromatic group which is conjugated with the pyrazolone ring system and such that when X or Y represents a said group, said group can optionally be attached via a hetero atom. These compounds possess useful electroluminescent properties such that they can be used in electroluminescent devices.
• Efficient and high colour-purity green-light polymer light-emitting diodes (PLEDs) based on a PVK-supported Tb³⁺-containing metallopolymer
  作者：Lin Liu、Mengyuan Pang、Hongting Chen、Guorui Fu、Baoning Li、Xingqiang Lü、Lei Wang

  DOI：10.1039/c7tc02092a

  日期：——

  For the Tb³⁺-containing metallopolymer, colour-purity green-light PLEDs with record-renewed efficiencies (24.63 cd A⁻¹, 7.81%, and 6.45 lm W⁻¹) and low efficiency roll-off were realized.

  对于含有Tb³⁺的金属聚合物，实现了颜色纯度的绿光PLED（24.63 cd A⁻¹，7.81％和6.45 lm W⁻¹）并且效率下降较低。