3-trifluoromethyl-5-(4-methyl-2-pyridyl) pyrazole | 188918-94-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-trifluoromethyl-5-(4-methyl-2-pyridyl) pyrazole
• 英文别名: 4-methyl-2-(3-(trifluoromethyl)-1H-pyrazol-5-yl)pyridine；(pypz3)H；4-methyl-2-(3-(trifluoromethyl)-1H-pyrazol-5-yl) pyridine；4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
• CAS: 188918-94-7
• 化学式: C₁₀H₈F₃N₃
• 分子量: 227.189
• InChiKey: XNSSTKPXUGSZQO-UHFFFAOYSA-N

物化性质

• 沸点：
  358.8±42.0 °C(Predicted)
• 密度：
  1.342±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-trifluoromethyl-5-(4-methyl-2-pyridyl) pyrazole 在 正丁基锂 、 4-甲基苯磺酸吡啶 、 二异丙胺 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 正己烷 、 甲苯 为溶剂， 反应 12.66h， 生成
  参考文献：
  名称：

  Metal-complex dye, photoelectric conversion element, dye-sensitized solar cell, and dye solution containing metal-complex dye

  摘要：

  一种光电转换元件，一种染料敏化太阳能电池和一种染料溶液，具有电导支撑体，包含电解质的光电导层，包含电解质的电荷转移层和对电极，其中光电导层含有携带金属络合染料的半导体细颗粒；金属络合染料至少具有一个羧基和该羧基的盐，所述盐选自钾盐、锂盐和铯盐组成的群体，其中α为羧基盐的数量除以金属络合染料分子中羧基和羧基盐总数量的比值，范围为0.1至0.9。

  公开号：

  US09953768B2
• 作为产物：
  描述：

  2-乙酰-4-甲基吡啶 在 sodium ethanolate 、 肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 3-trifluoromethyl-5-(4-methyl-2-pyridyl) pyrazole
  参考文献：
  名称：

  Syntheses and remarkable photophysical properties of 5-(2-pyridyl) pyrazolate boron complexes; photoinduced electron transferElectronic supplementary information (ESI) available: Photophysical experimental details, the spectral data of all boron complexes, and crystal data of 2a. See http://www.rsc.org/suppdata/cc/b3/b309374c/

  摘要：

  一系列新型吡啶基吡唑酸盐硼配合物2a–e已被合成，其中2a–c由于光诱导电子转移反应表现出显著的双荧光特性。

  DOI：

  10.1039/b309374c

文献信息

• Phosphorescent Osmium (II) complexes and uses thereof
  申请人：Tao Ye

  公开号：US20050137400A1

  公开（公告）日：2005-06-23

  There is disclosed herein phosphorescent compounds, uses thereof, and devices including organic light emitting diode (OLEDs) including such compounds. Compounds of interest include: wherein A is Os or Ru The anionic chelating chromophores Ncircumflex over ( )}N, which are formed by connecting one pentagonal ring structure containing at least two nitrogen atoms to a hexagonal pyridine type of fragment via a direct carbon-carbon linkage. L is a neutral donor ligand; the typical example includes carbonyl, pyridine, phosphine, arsine and isocyanide; two neutral L's can also combine to produce the so-called chelating ligand such as 2,2′-bipyridine, 1,10-phenanthroline and N-heterocyclic carbene (NHC) ligand, or bidentate phosphorous ligands such as 1,2-bis(diphenylphosphino)ethane, 1,2-bis(diphenylphosphino)benzene. L can occupy either cis or trans orientation. When L occupies the trans position, the preferred structure contains both the hexagonal fragment of NAN as well as its pentagonal fragment located at the trans position respect to their counterparts of the second NAN chromophore. When L occupies the cis position, the preferred structure consists of the pentagonal unit of Ncircumflex over ( )}N chromophores residing opposite to the L. X 1 , X 2 and X 3 independently are C or N; when X 2 is N, R, is omitted, when X 3 is N, R 2 is omitted, R 1 is H, C1-C8 alkyl, C1-C8 substituted phenyl or C1-C4 perfluoroalkyl, R 2 is H, F or cyano substituent, X 4 is either C or N; X 4 may locate at any position of the hexagonal ring, when X 4 is N and R 3 and R 4 are not linked to X 4 , R 3 is H, methyl or C1-C3 small alkyl, R 4 is H, methyl or C1-C3 small alkyl, or R 3 and R 4 together form an additional conjugated unit with structure

  本文介绍了荧光化合物及其用途，以及包括这些化合物的有机发光二极管（OLED）在内的装置。感兴趣的化合物包括：其中A是Os或Ru。阴离子螯合色团Ncircumflex over ( )}N是通过将至少含有两个氮原子的五边形环结构与一个六边形吡啶类型的片段通过直接碳-碳键连接而形成的。L是一个中性给体配体；典型的例子包括羰基、吡啶、膦、砷和异氰酸酯；两个中性的L也可以组合成所谓的螯合配体，如2,2′-联吡啶、1,10-邻菲啰啉和N-杂环卡宾（NHC）配体，或者是双齿膦配体，如1,2-双(二苯基膦基)乙烷、1,2-双(二苯基膦基)苯。L可以占据顺式或反式位向。当L占据反式位置时，首选结构包含NAN的六边形片段以及其位于反向位置的五边形片段，相对于第二个NAN色团的对应物。当L占据顺式位置时，首选结构由Ncircumflex over ( )}N色团的五边形单元组成，位于L的对面。X1、X2和X3独立地是C或N；当X2为N时，省略R；当X3为N时，省略R2；R1为H、C1-C8烷基、C1-C8取代苯基或C1-C4全氟烷基；R2为H、F或氰基取代基；X4为C或N；当X4为N且R3和R4未与X4连接时，X4可以位于六边形环的任何位置；R3为H、甲基或C1-C3小烷基；R4为H、甲基或C1-C3小烷基；或者R3和R4共同形成具有结构的额外共轭单元。
• Neutral, panchromatic Ru(ii) terpyridine sensitizers bearing pyridine pyrazolate chelates with superior DSSC performance
  作者：Bo-So Chen、Kellen Chen、Yi-Huan Hong、Wei-Hsin Liu、Tsung-Hui Li、Chin-Hung Lai、Pi-Tai Chou、Yun Chi、Gene-Hsiang Lee

  DOI：10.1039/b914197a

  日期：——

  A new series of neutral, panchromatic Ru(II) terpyridine sensitizers (PRT1–PRT4) exhibit much higher molar extinction coefficients at 400–550 nm and superior DSSC performance in terms of conversion efficiency (η = 10.05 for PRT4) and stability.

  一系列新的中性全色Ru(II)三联吡啶敏化剂（PRT1-PRT4）在400-550纳米波长范围内具有更高的摩尔消光系数，并且在转换效率（PRT4的η = 10.05）和稳定性方面具有卓越的DSSC性能。
• Panchromatic photosensitizers and dye-sensitized solar cell using the same
  申请人：Chi Yun

  公开号：US08759521B2

  公开（公告）日：2014-06-24

  Panchromatic photosensitizers having a Formula of ML1L2X were synthesized, wherein M represents ruthenium atom; X represents a monodentate anion; L1 is heterocyclic bidentate ligand having one of formulae listed below: wherein G2 has one of formulae listed below: and L2 is a tridentate ligand having a formula listed below: Substituents R1, R2, R3 and R4 of L1 are the same or different and are selected from the group consisting of hydrogen, halogen, amino-group alkyl, alkoxy, alkylthio, alkylamino, halogenated alkyl, phenyl and substituted phenyl group. Substituents R5, R6 and R7 of L2 are the same or different and are selected from the group consisting of carboxylic, carboxylate, sulfonic acid, sulfonate, phosphoric acid and phosphate. The above-mentioned photosensitizers are suitable to use as sensitizers for fabrication of high efficiency dye-sensitized solar cell.

  合成了具有ML1L2X公式的全光谱光敏剂，其中M代表钌原子；X代表单齿配体阴离子；L1是具有以下化学式之一的杂环双齿配体： 其中G2具有以下化学式之一： L2是具有以下化学式的三齿配体： L1的取代基R1、R2、R3和R4相同或不同，选择自氢、卤素、氨基烷基、烷氧基、烷硫基、烷基氨基、卤代烷基、苯基和取代苯基组成的群体中。L2的取代基R5、R6和R7相同或不同，选择自羧酸、羧酸盐、磺酸、磺酸盐、磷酸和磷酸盐组成的群体中。上述光敏剂适用于制备高效率染料敏化太阳能电池的敏化剂。
• Blue-Emitting Organometallic Complexes And Their Application
  申请人：Chi Yun

  公开号：US20080125591A1

  公开（公告）日：2008-05-29

  The present invention discloses organometallic complexes with transition metal elements and their application in fabrication of a variety of light-emitting devices. The mentioned organometallic complexes can serve as emitting material or dopant for blue phosphorescent organic light-emitting devices with excellent performance. The mentioned organometallic complexes have a general formula as the following: Wherein M represents a transition metal element, and Q 1 and Q 2 respectively represent an atomic group forming a nitrogen-containing heterocyclic ring as a five member ring, a six member ring, or a seven member ring.

  本发明公开了含有过渡金属元素的有机金属配合物及其在制造各种发光器件中的应用。所述有机金属配合物可作为发射材料或掺杂剂用于具有优异性能的蓝色磷光有机发光器件。所述有机金属配合物的一般式如下：其中，M代表过渡金属元素，Q1和Q2分别表示形成含氮杂环环的原子团，该含氮杂环环为五元环、六元环或七元环。
• PANCHROMATIC PHOTOSENSITIZERS AND DYE-SENSITIZED SOLAR CELL USING THE SAME
  申请人：CHI Yun

  公开号：US20120111410A1

  公开（公告）日：2012-05-10

  Panchromatic photo sensitizers having a Formula of ML 1 L 2 X were synthesized, wherein M represents ruthenium atom; X represents a monodentate anion; L 1 is heterocyclic bidentate ligand having one of formulae listed below: wherein G 2 has one of formulae listed below: and L 2 is a tridentate ligand having a formula listed below: Substituents R 1 , R 2 , R 3 and R 4 of L 1 are the same or different and are selected from the group consisting of hydrogen, halogens, amino-group alkyl, alkoxy, alkylthio, alkylamino, halogenated alkyl, phenyl and substituted phenyl group. Substituents R 5 , R 6 and R 7 of L 2 are the same or different and are selected from the group consisting of carboxylic acid and counter anion thereof, sulfonic acid and counter anion thereof, phosphoric acid and counter anion thereof. The above-mentioned photosensitizers are suitable to use as sensitizers for fabrication of high efficiency dye-sensitized solar cell.

  合成了具有ML1L2X公式的全光谱光敏剂，其中M代表钌原子；X代表单齿配位离子；L1是具有以下一种式子的杂环双齿配体：其中G2具有以下一种式子：而L2是具有以下式子的三齿配体：L1的取代基R1、R2、R3和R4相同或不同，选自氢、卤素、氨基烷基、烷氧基、烷硫基、烷基氨基、卤代烷基、苯基和取代苯基；L2的取代基R5、R6和R7相同或不同，选自羧酸及其对应的反离子、磺酸及其对应的反离子、磷酸及其对应的反离子。上述光敏剂适用于制备高效率染料敏化太阳能电池的敏化剂。