1-(4-(trifluoromethyl)benzyl)-1H-pyrazole | 1034708-31-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-(trifluoromethyl)benzyl)-1H-pyrazole
• 英文别名: 4-trifluoromethylbenzyl-N-pyrazole；1-[[4-(Trifluoromethyl)phenyl]methyl]pyrazole
• CAS: 1034708-31-0
• 化学式: C₁₁H₉F₃N₂
• 分子量: 226.201
• InChiKey: KLMXTOUWDDACPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-(trifluoromethyl)benzyl)-1H-pyrazole 、 二苯基乙炔 在 silver(I) acetate 、 palladium diacetate 、 三甲基乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以46 %的产率得到4,5-diphenyl-7-(trifluoromethyl)-10H-benzo[e]pyrazolo[1,5-a]azepine
  参考文献：
  名称：

  钯催化的 [5 + 2] 1-苄基吡唑与炔烃的翻转环化：直接进入三环 2-苯并氮卓

  摘要：

  已开发出第一个 Pd 催化的 [5 + 2] 翻转环化 1-苄基吡唑与炔烃以组装 10 H-苯并 [ e ] 吡唑并 [1,5- a ] 氮杂（三环 2-苯并氮杂）。翻转环化意味着 1-苄基吡唑（五原子伙伴）和炔烃的芳基和杂芳基 C sp 2 -H 键 (C-H/C-H)的双重 C-H 活化，得到 [5 + 2] 环化化合物。

  DOI：

  10.1021/acs.orglett.2c04300
• 作为产物：
  描述：

  吡唑 、 1-溴-三氟对二甲苯 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以65 %的产率得到1-(4-(trifluoromethyl)benzyl)-1H-pyrazole
  参考文献：
  名称：

  钯催化的 [5 + 2] 1-苄基吡唑与炔烃的翻转环化：直接进入三环 2-苯并氮卓

  摘要：

  已开发出第一个 Pd 催化的 [5 + 2] 翻转环化 1-苄基吡唑与炔烃以组装 10 H-苯并 [ e ] 吡唑并 [1,5- a ] 氮杂（三环 2-苯并氮杂）。翻转环化意味着 1-苄基吡唑（五原子伙伴）和炔烃的芳基和杂芳基 C sp 2 -H 键 (C-H/C-H)的双重 C-H 活化，得到 [5 + 2] 环化化合物。

  DOI：

  10.1021/acs.orglett.2c04300

文献信息

• Phosphorescent iridium complex with non-conjugated cyclometalated ligands, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof
  申请人：Chi Yun

  公开号：US20080161568A1

  公开（公告）日：2008-07-03

  The present invention discloses a phosphorescent tris-chelated transition metal complex comprising i) two identical non-conjugated cyclometalated ligands being incorporated into a coordination sphere thereof with a transition metal, and one ligated chromophore being incorporated into the coordination sphere; or ii) one non-conjugated cyclometalated ligand forming a coordination sphere thereof with a transition metal, and two ligated chromophores being incorporated into the coordination sphere, wherein the metal is iridium, platinum, osmium or ruthenium, and the ligated chromophore possesses a relatively lower energy gap in comparison with that of the non-conjugated cyclometalated ligand, the latter afforded an effective barrier for inhibiting the ligand-to-ligand charge transfer process, so that a subsequent radiative decay from an excited state of these transition complexes will be confined to the single ligated chromophore. The architecture and energy gap of the ligated chromophore are suitable for generation of high efficiency blue, green and even red emissions.

  本发明披露了一种荧光三螯合过渡金属配合物，包括i)两个相同的非共轭环金属配体与过渡金属形成配位球，并将一个配位色团并入配位球中；或ii)一个非共轭环金属配体与过渡金属形成配位球，并将两个配位色团并入配位球中。其中金属为铱、铂、锇或钌，配位色团与非共轭环金属配体相比具有较低的能隙，后者提供了有效的屏障以抑制配体间的电荷转移过程，从而使这些过渡金属配合物的激发态的辐射衰减限制在单个配位色团中。配位色团的结构和能隙适合于产生高效的蓝色、绿色甚至红色发射。
• PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF
  申请人：CHI Yun

  公开号：US20110313161A1

  公开（公告）日：2011-12-22

  The present invention discloses a phosphorescent tris-chelated transition metal complex comprising i) two identical non-conjugated cyclometalated ligands being incorporated into a coordination sphere thereof with a transition metal, and one ligated chromophore being incorporated into the coordination sphere; or ii) one non-conjugated cyclometalated ligand forming a coordination sphere thereof with a transition metal, and two ligated chromophores being incorporated into the coordination sphere, wherein the metal is iridium, platinum, osmium or ruthenium, and the ligated chromophore possesses a relatively lower energy gap in comparison with that of the non-conjugated cyclometalated ligand, the latter afforded an effective barrier for inhibiting the ligand-to-ligand charge transfer process, so that a subsequent radiative decay from an excited state of these transition complexes will be confined to the single ligated chromophore. The architecture and energy gap of the ligated chromophore are suitable for generation of high efficiency blue, green and even red emissions.
• PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF
  申请人：CHI Yun

  公开号：US20110313162A1

  公开（公告）日：2011-12-22

  The present invention discloses a phosphorescent tris-chelated transition metal complex comprising i) two identical non-conjugated cyclometalated ligands being incorporated into a coordination sphere thereof with a transition metal, and one ligated chromophore being incorporated into the coordination sphere; or ii) one non-conjugated cyclometalated ligand forming a coordination sphere thereof with a transition metal, and two ligated chromophores being incorporated into the coordination sphere, wherein the metal is iridium, platinum, osmium or ruthenium, and the ligated chromophore possesses a relatively lower energy gap in comparison with that of the non-conjugated cyclometalated ligand, the latter afforded an effective barrier for inhibiting the ligand-to-ligand charge transfer process, so that a subsequent radiative decay from an excited state of these transition complexes will be confined to the single ligated chromophore. The architecture and energy gap of the ligated chromophore are suitable for generation of high efficiency blue, green and even red emissions.
• US8410269B2
  申请人：——

  公开号：US8410269B2

  公开（公告）日：2013-04-02