4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

• 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: 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
• 化学式: C₉H₅ClF₃N₃
• 分子量: 247.607
• InChiKey: BYZHZPBPAYENDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 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：

  2-(3-Hexyl-2-benzothiophen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 、 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine 在 四(三苯基膦)钯 、 三叔丁基膦 、 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成 4-(3-hexyl-2-benzothiophen-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
  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：

  1-(4-氯吡啶)-2-乙酮 在 sodium ethanolate 、 一水合肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
  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

文献信息

• METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND COMPOUND
  申请人：Fujifilm Corporation

  公开号：EP2793311A1

  公开（公告）日：2014-10-22

  A photoelectric conversion element, having: an electrically-conductive support; a photoconductor layer having a layer of semiconductor fine-particles that have adsorbed a dye; a charge transfer layer containing an electrolyte; and a counter electrode; which are provided on one side of the electrically-conductive support in this order, wherein the dye has at least one terdentate ligand having at least one acidic group; at least one ligand coordinating to a metal atom M has an sp2 carbon atom; a cyclic group binds to the sp2 carbon atom; in a circle position connecting through a carbon atom(s) from an atom of the cyclic group directly binding to the sp2 carbon atom, a substituent R is substituted at an atom of an α-position or β-position to the atom of the cyclic group directly binding to the sp2 carbon atom, with the substituent R being selected from a linear or branched alkyl group, a cycloalkyl group, an alkoxy group, a cycloalkoxy group, an aryloxy group, an alkylthio group, a cycloalkylthio group, an arylthio group, an amino group, an alkylamino group, a cycloalkylamino group, an arylamino group, a heterocyclic amino group, a silyl group, or a silyloxy group; and when the atom of the α-position or β-position to which the substituent R binds is defined as G1 and an atom of the substituent R which directly binds to the atom G1 is defined as G2, an angle θ (∠MG1G2) formed by the metal atom M, the atom G1 and the atom G2, which is centered on the atom G1, is 150° or less, a dye-sensitized solar cell, a metal complex dye, a dye solution containing the dye and a compound useful as a ligand of the dye.

  一种光电转换元件，具有 导电支架 光电导体层，该层具有一层吸附了染料的半导体微粒； 含有电解质的电荷转移层；以及 一个对电极； 它们依次设置在导电支架的一侧、 其中，染料具有至少一个三齿配体，该配体具有至少一个酸性基团；至少一个配体与具有 sp2 碳原子的金属原子 M 配位；一个环状基团与 sp2 碳原子结合；在通过碳原子与直接结合到 sp2 碳原子的环状基团的原子相连的圆周位置上，在与直接结合到 sp2 碳原子的环状基团的原子处于 α 位或 β 位的原子上取代取代基 R，取代基 R 选自直链或支链烷基、环烷基、烷氧基、环烷氧基、芳氧基、烷硫基、环烷硫基、芳硫基、氨基、烷基氨基、环烷基氨基、芳基氨基、杂环氨基、硅烷基或硅烷氧基；当取代基 R 与之结合的 α 位或 β 位原子被定义为 G1，而取代基 R 直接与原子 G1 结合的原子被定义为 G2 时，金属原子 M 与原子 G1 形成的角度θ (∠MG1G2)、以原子 G1 为中心，由金属原子 M、原子 G1 和原子 G2 形成的角度θ (∠MG1G2)为 150°或更小。
• METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE
  申请人：FUJIFILM Corporation

  公开号：EP2980816A1

  公开（公告）日：2016-02-03

  A photoelectric conversion element, a photoelectric conversion element, a dye-sensitized solar cell and a dye solution, having an electrically conductive support, a photoconductor layer containing an electrolyte, a charge transfer layer containing an electrolyte, and a counter electrode, wherein the photoconductor layer contains semiconductor fine particles carrying a metal complex dye represented by the following Formula (I); and wherein the metal complex dye has at least a carboxyl group and a salt of the carboxyl group, the salt being selected from the group consisting of a potassium salt, a lithium salt, and a cesium salt, and the ratio α of the number of the salt of the carboxyl group divided by the total number of the carboxyl group and the salt of the carboxyl group to be found in one molecule of the metal complex dye, lying in the range of 0.1 to 0.9: wherein M1 represents a Ru atom or an Os atom; Z1 represents a monodentate ligand; the rings Za, Zb and Zc represent a group of nonmetallic atoms necessary for forming a nitrogen-containing 5- or 6-membered ring, provided that at least two rings among the rings formed by Za, Zb and Zc contain a carboxyl group, or a potassium salt, a lithium salt or a cesium salt of a carboxyl group; the ring Zd represents a group represented by any one of the following Formulas (Zd-1) to (Zd-5); J1 represents a substituent; and ma represents an integer of 0 to 2; wherein, in Formulas (Zd-1) to (Zd-5), R represents an alkyl group which may be substituted with a halogen atom, an aromatic group, or a heterocyclic group; m represents an integer of 0 or more; the symbol "*" represents a binding site with the pyridine ring having J1; and the symbol "**" represents an atom or an atom anion coordinated with M1.

  一种光电转换元件、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，具有导电支架、含有电解质的光电导体层、含有电解质的电荷转移层和一个对电极、 其中，光电导体层含有携带下式（I）表示的金属络合染料的半导体微粒；以及 其中金属络合染料至少具有一个羧基和羧基盐，羧基盐选自由钾盐、锂盐和铯盐组成的组，羧基盐的数量除以一个金属络合染料分子中羧基和羧基盐的总数的比率α在 0.1 至 0.9 之间： 其中 M1 代表 Ru 原子或 Os 原子；Z1 代表单齿配体；环 Za、Zb 和 Zc 代表形成含氮 5 元环或 6 元环所需的一组非金属原子，条件是由 Za、Zb 和 Zc 形成的环中至少有两个环含有羧基或羧基的钾盐、锂盐或铯盐；环 Zd 代表下式（Zd-1）至（Zd-5）中任一式所代表的基团； J1 代表取代基； ma 代表 0 至 2 的整数； 其中，在式(Zd-1)至(Zd-5)中，R 代表可被卤素原子、芳香基团或杂环基团取代的烷基；m 代表 0 或以上的整数；符号 "*"代表与具有 J1 的吡啶环的结合位点；符号 "**"代表与 M1 配位的原子或原子阴离子。
• Photoelectric conversion element and dye-sensitized solar cell
  申请人：FUJIFILM Corporation

  公开号：US10256048B2

  公开（公告）日：2019-04-09

  Provided are a photoelectric conversion element and a dye sensitized solar cell having a supporting substrate, a conductive layer, a power generating layer having a porous semiconductor layer onto which a metal complex dye represented by Formula (1) is adsorbed, a porous insulating layer, and a counter electrode conductive layer, in which the layers are laminated in this order on the supporting substrate, and voids that each of the power generating layer, the porous insulating layer, and the counter electrode conductive layer has are filled with an electrolyte. R represents a hydrogen atom, an alkyl group, or an aryl group. G represents a group represented by any one of Formulae (G-1) to (G-4). A1 to A3 each represent a hydrogen atom, a carboxyl group, or a salt thereof. At least one of A1 to A3 is a carboxyl group or a salt thereof. X1 and X2 each represent —O—, —S—, and others. Ra represents an alkyl group and the like. Rb to Re each represent a hydrogen atom or a substituent. na represents 1 to 3. (G-1) to (G-4) are bonded to a pyridine ring in the portion of *.

  本发明提供了一种光电转换元件和染料敏化太阳能电池，该电池具有支撑基板、导电层、具有多孔半导体层（其上吸附有式（1）表示的金属络合染料）的发电层、多孔绝缘层和对电极导电层，其中各层依次层叠在支撑基板上，发电层、多孔绝缘层和对电极导电层各自具有的空隙用电解液填充。 R 代表氢原子、烷基或芳基。G 代表由式（G-1）至（G-4）中任一项所代表的基团。A1 至 A3 分别代表氢原子、羧基或其盐。A1 至 A3 中至少有一个是羧基或其盐。X1 和 X2 各自代表-O-、-S-和其他。Ra 代表烷基等。Rb至Re各自代表氢原子或取代基。 na代表1至3。 (G-1)至(G-4)在*的部分与吡啶环键合。
• PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX DYE USED THEREIN
  申请人：FUJIFILM Corporation

  公开号：US20140209172A1

  公开（公告）日：2014-07-31

  A photoelectric conversion element having a laminate structure including, provided on an electrically conductive support, a photoconductor layer having a layer of dye-adsorbed semiconductor fine particles, a charge transfer layer, and a counter electrode, wherein the dye is a metal complex dye represented by the following formula (1): M 1 L 1 L 2 Z 1 (1) wherein, in formula (1), M 1 represents a metal atom; Z 1 represents a monodentate ligand; L 1 represents a specific tridentate ligand; and L 2 represents a specific bidentate ligand.
• PHOTOELECTRIC CONVERSION ELEMENT AND DYE-SENSITIZED SOLAR CELL
  申请人：FUJIFILM Corporation

  公开号：US20180090280A1

  公开（公告）日：2018-03-29

  Provided are a photoelectric conversion element and a dye sensitized solar cell having a supporting substrate, a conductive layer, a power generating layer having a porous semiconductor layer onto which a metal complex dye represented by Formula (1) is adsorbed, a porous insulating layer, and a counter electrode conductive layer, in which the layers are laminated in this order on the supporting substrate, and voids that each of the power generating layer, the porous insulating layer, and the counter electrode conductive layer has are filled with an electrolyte. R represents a hydrogen atom, an alkyl group, or an aryl group. G represents a group represented by any one of Formulae (G-1) to (G-4). A 1 to A 3 each represent a hydrogen atom, a carboxyl group, or a salt thereof. At least one of A 1 to A 3 is a carboxyl group or a salt thereof. X 1 and X 2 each represent —O—, —S—, and others. R a represents an alkyl group and the like. R b to R e each represent a hydrogen atom or a substituent. na represents 1 to 3. (G-1) to (G-4) are bonded to a pyridine ring in the portion of *.