2-(4-乙基苯基)-5-苯基-1,3,4-恶二唑 | 113583-80-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-乙基苯基)-5-苯基-1,3,4-恶二唑
• 英文名称: 2-(4-ethylphenyl)-5-phenyl-1,3,4-oxadiazole
• CAS: 113583-80-5
• 化学式: C₁₆H₁₄N₂O
• 分子量: 250.3
• InChiKey: KCYXZONBRGRMPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯甲酰肼 在 2,2'-联吡啶 、 potassium phosphate 、 copper diacetate 、 palladium diacetate 作用下， 以 二甲基亚砜 为溶剂， 反应 12.0h， 生成 2-(4-乙基苯基)-5-苯基-1,3,4-恶二唑
  参考文献：
  名称：

  Pd（OAc）2使用Cu（OAc）2作为氧化剂催化1,3,4-恶二唑的C–H活化及其与苯并噻唑和芳基硼酸的直接氧化偶联

  摘要：

  使用Pd（OAc）2作为催化剂和Cu（OAc）2作为氧化剂已经实现了1,3,4-恶二唑与苯并噻唑的首次直接氧化偶联。催化剂和氧化剂的类似组合也已用于将1,3,4-恶二唑与芳基硼酸直接芳基化。两种方法都以高收率制备了几种新的恶二唑衍生物。

  DOI：

  10.1016/j.tet.2012.12.080

文献信息

• An Improved Synthesis of 2-Aryl- and 2-Alkenyl-1,3,4-oxadiazoles by Using Copper(II) Oxide Nanoparticles as a Catalyst
  作者：Biswanath Das、N. Salva Reddy、P. Raghavendar Reddy

  DOI：10.1055/s-0034-1380923

  日期：——

  Abstract 2-Aryl- and 2-alkenyl-1,3,4-oxadiazoles were efficiently synthesized in high yields by treatment of 1,3,4-oxadiazoles with aryl or alkenyl halides, respectively, in the presence of copper(II) oxide nanoparticles as a catalyst. The reusability of the catalyst is an important advantage in relation to practical applications of this synthesis. 2-Aryl- and 2-alkenyl-1,3,4-oxadiazoles were efficiently

  摘要 通过在氧化铜（II）纳米粒子的存在下分别用芳基或烯基卤化物处理1,3,4-恶二唑，可以高收率高效合成2-芳基和2-烯基-1,3,4-恶二唑作为催化剂。相对于该合成的实际应用，催化剂的可重复使用性是重要的优点。 通过在氧化铜（II）纳米粒子的存在下分别用芳基或烯基卤化物处理1,3,4-恶二唑，可以高收率高效合成2-芳基和2-烯基-1,3,4-恶二唑作为催化剂。相对于该合成的实际应用，催化剂的可重复使用性是重要的优点。
• Cobalt(II) nitrate promoted cyclization of benzoyl hydrazone for the synthesis of 2,5-diphenyl-1,3,4-oxadiazole derivatives
  作者：Xiaojun Li、Shangtie Liao、Yu Chen、Chengcai Xia、Guodong Wang

  DOI：10.1177/17475198211045932

  日期：2021.11

  A Co(NO3)2 method to promote cyclization of benzoyl hydrazone for the formation of 2,5-diphenyl-1,3,4-oxadiazoles has been developed. The reaction proceeded smoothly and was promoted by Co(NO3)2 under air at 110 °C in DCE; 16 examples of products were obtained.

  已开发出促进苯甲酰腙环化以形成 2,5-二苯基-1,3,4-恶二唑的 Co(NO 3 ) 2方法。反应在空气中、110℃下DCE中由Co(NO 3 ) 2促进，反应顺利进行；获得16个产品实例。
• Photoredox/Cobalt-Catalyzed Cascade Oxidative Synthesis of 2,5-Disubstituted 1,3,4-Oxadiazoles under Oxidant-Free Conditions
  作者：Jun-Li Li、Hao-Yuan Li、Shan-Shan Zhang、Shigang Shen、Xiu-Long Yang、Xiaoying Niu

  DOI：10.1021/acs.joc.3c01078

  日期：2023.11.3

  An efficient oxidant-free, photoredox-mediated cascade cyclization strategy for the synthesis of 1,3,4-oxadiazoles by using an organo acridinium photocatalyst and a cobaloxime catalyst has been developed. Various acylhydrazones have been transformed into the corresponding 1,3,4-oxadiazole products in up to 96% yield, and H2 is the only byproduct. Mechanistic experiments and density functional theory

  通过使用有机吖啶光催化剂和钴肟催化剂，开发了一种有效的无氧化剂、光氧化还原介导的级联环化策略，用于合成 1,3,4-恶二唑。各种酰腙已转化为相应的1,3,4-恶二唑产品，收率高达96%，H 2是唯一的副产物。机理实验和密度泛函理论 (DFT) 计算研究表明，光激发 Mes–Acr + *氧化以及去质子化产生的 π 自由基是以碳为中心的自由基，而不是以氧为中心的自由基，这是造成这种转变的原因。该方法的实用性突出是直接从市售醛和酰肼开始的一锅克级合成。
• Compositions, optical component, system including an optical component, and other products
  申请人：SAMSUNG ELECTRONICS CO., LTD.

  公开号：US10633582B2

  公开（公告）日：2020-04-28

  The present inventions relate to optical components which include quantum confined semiconductor nanoparticles, wherein at least a portion of the nanoparticles include a ligand attached to a surface thereof, the ligand being represented by the formula: X-Sp-Z, wherein: X represents a primary amine group, a secondary amine group, a urea, a thiourea, an imidizole group, an amide group, an other nitrogen containing group, a carboxylic acid group, a phosphonic or arsonic acid group, a phosphinic or arsinic acid group, a phosphate or arsenate group, a phosphine or arsine oxide group; Sp represents a spacer group, such as a group capable of allowing a transfer of charge or an insulating group; and Z represents: (i) a reactive group capable of communicating specific chemical properties to the nanocrystal as well as provide specific chemical reactivity to the surface of the nanocrystal, and/or (ii) a group that is cyclic, halogenated, or polar a-protic. Compositions, systems, kits, films, inks, and TFEL lamps are also disclosed.

  本发明涉及包括量子约束半导体纳米粒子的光学元件，其中至少一部分纳米粒子包括附着在其表面的配体，配体由式表示：X-Sp-Z，其中X 代表伯胺基团、仲胺基团、脲基团、硫脲基团、咪唑基团、酰胺基团、其他含氮基团、羧酸基团、膦酸基团或砷酸基团、膦酸基团或砷酸基团、磷酸盐基团或砷酸盐基团、氧化膦基团或氧化砷基团；Sp 代表间隔基团，例如能够允许电荷转移的基团或绝缘基团；Z 代表：(i) 反应基团，能够将特定的化学性质传递给纳米晶体，并为纳米晶体表面提供特定的化学反应活性，和/或 (ii) 环状、卤化或极性阳离子基团。此外，还公开了组合物、系统、试剂盒、薄膜、油墨和 TFEL 灯。
• Novel Polymers
  申请人：Chebotareva Natalia

  公开号：US20100249349A1

  公开（公告）日：2010-09-30

  The present invention relates to novel polymers comprising a repeating unit of the formula (I) and their use in electronic devices. The polymers according to the invention have excellent solubility in organic solvents and excellent film-forming properties. In addition, high charge carrier mobilities and high stability of the emission color can be observed, if the polymers according to the invention are used in organic light emitting diodes (OLEDs).