2-(1H-吡唑-1-基)-4-叔丁基吡啶 | 1361941-59-4

• 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
• 中文名称: 2-(1H-吡唑-1-基)-4-叔丁基吡啶
• 英文名称: 2-(1H-pyrazol-1-yl)-4-tert-butylpyridine
• 英文别名: 4-Tert-butyl-2-(1h-pyrazol-1-yl)pyridine；4-tert-butyl-2-pyrazol-1-ylpyridine
• CAS: 1361941-59-4
• 化学式: C₁₂H₁₅N₃
• 分子量: 201.271
• InChiKey: SOIPESGJSYYVQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  六氟磷酸钾 、 (1-(2,4-difluorophenyl)-1H-pyrazole)₂Ir(μ-Cl)₂Ir(1-(2,4-difluorophenyl)-1H-pyrazole)₂ 、 2-(1H-吡唑-1-基)-4-叔丁基吡啶 以 甲醇 、 二氯甲烷 为溶剂， 以85%的产率得到[Ir(dfppz)2(1-(4'-tert-butyl-2'-pyridyl)pyrazole)](PF6)
  参考文献：
  名称：

  Charged cyclometalated iridium(III) complexes that have large electrochemical gap

  摘要：

  Bis-cyclometalated cationic Ir(III) diimine complexes [Ir((CN)-N-Lambda)2((NN)-N-Lambda)](PF6) with 1-phenylpyrazoles ((CN)-N-Lambda) and 1-(4'-tert-butyl-2'-pyridyl) pyrazole ((NN)-N-Lambda) are white solids that have absorption onset below 425 nm and electrochemical gap of up to 3.5 V. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.10.052
• 作为产物：
  描述：

  4-叔丁基吡啶 在 potassium tert-butylate 、 双氧水 、 溶剂黄146 、 三氯氧磷 作用下， 以 二甲基亚砜 为溶剂， 反应 9.0h， 生成 2-(1H-吡唑-1-基)-4-叔丁基吡啶
  参考文献：
  名称：

  Charged cyclometalated iridium(III) complexes that have large electrochemical gap

  摘要：

  Bis-cyclometalated cationic Ir(III) diimine complexes [Ir((CN)-N-Lambda)2((NN)-N-Lambda)](PF6) with 1-phenylpyrazoles ((CN)-N-Lambda) and 1-(4'-tert-butyl-2'-pyridyl) pyrazole ((NN)-N-Lambda) are white solids that have absorption onset below 425 nm and electrochemical gap of up to 3.5 V. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.10.052

文献信息

• Monoacylglycerol Lipase Modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US20200102311A1

  公开（公告）日：2020-04-02

  Bridged compounds of Formula (I) and Formula (II), pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to major depressive disorder, treatment resistant depression, anxious depression, bipolar disorder), cancers and eye conditions. wherein R 2 , R 3 R 4 , R 5 and R 6 are defined herein.

  桥接化合物，其结构式为(I)和(II)，包含它们的药物组合物，制造它们的方法，以及使用它们的方法，包括用于治疗与MGL调节相关的疾病状态、障碍和状况的方法，如与疼痛、精神障碍、神经障碍（包括但不限于重性抑郁障碍、难治性抑郁、焦虑性抑郁、双相情感障碍）、癌症和眼科疾病相关的方法。 其中R2、R3、R4、R5和R6的定义如下。
• Nanostructured TiO2/CH3NH3PbI3 heterojunction solar cells employing spiro-OMeTAD/Co-complex as hole-transporting material
  作者：Jun Hong Noh、Nam Joong Jeon、Yong Chan Choi、Md. K. Nazeeruddin、Michael Grätzel、Sang Il Seok

  DOI：10.1039/c3ta12681a

  日期：——

  For using 2,2′,7,7′-tetrakis(N,N′-di-p-methoxyphenylamine)-9,9′-spirobifluorene (spiro-OMeTAD) as a hole conductor in solar cells, it is necessary to improve its charge-transport properties through electrochemical doping. With the aim of fabricating efficient mesoscopic TiO2/CH3NH3PbI3 heterojunction solar cells, we used tris[2-(1H-pyrazol-1-yl)-4-tert-butylpyridine)cobalt(III) tris(bis(trifluoromethylsulfonyl) imide)] (FK209) as a p-dopant for spiro-OMeTAD. The mixture of spiro-OMeTAD, FK209, lithium bis(trifluoromethylsulfonyl)imide (Li-TFSI), and 4-tert-butylpyridine (TBP) exhibited significantly higher performance than mixtures of pristine spiro-OMeTAD, spiro-OMeTAD, and FK209, and spiro-OMeTAD, Li-TFSI, and TBP. Such a synergistic effect between the Co-complex and Li-TFSI in conjunction with spiro-OMeTAD effectively improved the power conversion efficiency (PCE) of the fabricated solar cells. As a result, we achieved PCE of 10.4%, measured under standard solar conditions (AM 1.5G, 100 mW cm−2).

  要在太阳能电池中使用 2,2′,7,7′-四（N,N′-二对甲氧基苯胺）-9,9′-螺二芴（spiro-OMeTAD）作为空穴导体，就必须通过电化学掺杂来改善其电荷传输特性。为了制造高效的介观 TiO2/CH3NH3PbI3 异质结太阳能电池，我们使用了三[2-(1H-吡唑-1-基)-4-叔丁基吡啶)钴(III)三(双(三氟甲基磺酰基)亚胺)]（FK209）作为螺-OMeTAD 的对掺杂剂。螺-OMeTAD、FK209、双(三氟甲基磺酰基)亚胺锂（Li-TFSI）和 4-叔丁基吡啶（TBP）的混合物的性能明显高于原始螺-OMeTAD、螺-OMeTAD 和 FK209 以及螺-OMeTAD、Li-TFSI 和 TBP 的混合物。Co-complex 和 Li-TFSI 与螺-OMeTAD 之间的协同效应有效提高了所制造太阳能电池的功率转换效率（PCE）。因此，我们在标准太阳能条件（AM 1.5G，100 mW cm-2）下测量的 PCE 达到了 10.4%。
• Co(III) Complexes as p-Dopants in Solid-State Dye-Sensitized Solar Cells
  作者：Julian Burschka、Florian Kessler、Mohammad K. Nazeeruddin、Michael Grätzel

  DOI：10.1021/cm400796u

  日期：2013.8.13

  Following our recent work on the use of Co(III) complexes as p-type dopants for triarylamine-based organic hole-conductors, we herein report on two new Co(III) complexes for doping applications. With the aim of ameliorating the dopant's suitability for its use in solid-state dye-sensitized solar cells, we show how the properties of the dopant can be easily adjusted by a slight modification of the molecular structure. We prove the eligibility of the two new dopants by characterizing their optical and electrochemical properties and give evidence that both of them can be used to oxidize the molecular hole-transporter spiro-MeOTAD. Finally, we fabricate high-performance solid-state dye-sensitized solar cells using a state-of-the-art metal-free organic sensitizer in order to elucidate the influence of the type of dopant on device performance.
• PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTRIC CONVERSION MODULE, AND ELECTRONIC DEVICE
  申请人：RICOH COMPANY, LTD.

  公开号：US20210280810A1

  公开（公告）日：2021-09-09

  A photoelectric conversion element including: a first electrode; a photoelectric conversion layer; and a second electrode, wherein the photoelectric conversion layer includes an electron-transporting layer and a hole-transporting layer, the electron-transporting layer includes a lithium ion, the hole-transporting layer includes an organic hole-transporting material and a lithium salt, and lithium included in the electron-transporting layer is more than lithium included in the hole-transporting layer.
• Charged cyclometalated iridium(III) complexes that have large electrochemical gap
  作者：Nail M. Shavaleev、Rosario Scopelliti、Etienne Baranoff、Michael Grätzel、Mohammad K. Nazeeruddin

  DOI：10.1016/j.ica.2011.10.052

  日期：2012.3

  Bis-cyclometalated cationic Ir(III) diimine complexes [Ir((CN)-N-Lambda)2((NN)-N-Lambda)](PF6) with 1-phenylpyrazoles ((CN)-N-Lambda) and 1-(4'-tert-butyl-2'-pyridyl) pyrazole ((NN)-N-Lambda) are white solids that have absorption onset below 425 nm and electrochemical gap of up to 3.5 V. (C) 2011 Elsevier B. V. All rights reserved.