4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzeneboronic acid | 1191060-45-3

• 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: 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzeneboronic acid
• 英文别名: 4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenylboronic acid；[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid
• CAS: 1191060-45-3
• 化学式: C₁₄H₁₁BN₂O₃
• 分子量: 266.064
• InChiKey: RIUYZFHMLNGPGY-UHFFFAOYSA-N

物化性质

• 沸点：
  495.7±55.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.08
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzeneboronic acid 、 1-氯异喹啉 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以72%的产率得到1-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-phenyl]-isoquinoline
  参考文献：
  名称：

  Synthesis, structure, photophysical and electrochemical properties of series of new fac-triscyclometallated iridium complexes with carbazole or oxadiazole moieties

  摘要：

  A series of new fac-triscyclometallated iridium complexes Ir(Ln)(3) (n = 1-6) (L-1: 2-{4-[5-phenyl-[1,3,4] oxadiazol-2-yl]-phenyl}-pyridine, L2: 2-{4-[5-(4-tert-butyl-phenyl)-[1,3,4] oxadiazol-2-yl]-phenyl}pyridine, L3: 9-(4-pyridin-2-yl-phenyl)-9H-carbazole, L4: 1-[4-(5-phenyl-[1,3,4] oxadiazol-2-yl)-phenyl]- isoquinoline, L5: 1-{4-[5-(4-tert-butyl-phenyl)-[1,3,4] oxadiazol-2-yl]-phenyl}-isoquinoline, L6: 9-(4-isoquinolin-1-yl-phenyl)-9H-carbazole) based on Ir(ppy)(3) (ppy = phenyl-pyridine) and Ir(piq)(3) (piq = 1-phenylisoquinoline) were synthesized from Ir(acac)(3) and corresponding ligands by a new and effective way using anthracene as a solvent. Single-crystal X-ray diffraction spectra of three complexes were studied and the iridium centers were found to adopt distorted octahedral coordination geometry. UV-Vis, photoluminescence, cyclic voltammetry were employed for studying the photophysical and electrochemical properties. These complexes exhibit intense phosphorescence in toluene solution at room temperature with high quantum efficiencies (0.07-0.58) and submicrosecond lifetimes (0.57-0.87 mu s). (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.05.010
• 作为产物：
  描述：

  2-(4-溴苯基)-5-苯基-1,3,4-恶二唑 在 正丁基锂 、 硼酸三甲酯 作用下， 以 正己烷 为溶剂， 反应 4.75h， 以35%的产率得到4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzeneboronic acid
  参考文献：
  名称：

  Synthesis, structure, photophysical and electrochemical properties of series of new fac-triscyclometallated iridium complexes with carbazole or oxadiazole moieties

  摘要：

  A series of new fac-triscyclometallated iridium complexes Ir(Ln)(3) (n = 1-6) (L-1: 2-{4-[5-phenyl-[1,3,4] oxadiazol-2-yl]-phenyl}-pyridine, L2: 2-{4-[5-(4-tert-butyl-phenyl)-[1,3,4] oxadiazol-2-yl]-phenyl}pyridine, L3: 9-(4-pyridin-2-yl-phenyl)-9H-carbazole, L4: 1-[4-(5-phenyl-[1,3,4] oxadiazol-2-yl)-phenyl]- isoquinoline, L5: 1-{4-[5-(4-tert-butyl-phenyl)-[1,3,4] oxadiazol-2-yl]-phenyl}-isoquinoline, L6: 9-(4-isoquinolin-1-yl-phenyl)-9H-carbazole) based on Ir(ppy)(3) (ppy = phenyl-pyridine) and Ir(piq)(3) (piq = 1-phenylisoquinoline) were synthesized from Ir(acac)(3) and corresponding ligands by a new and effective way using anthracene as a solvent. Single-crystal X-ray diffraction spectra of three complexes were studied and the iridium centers were found to adopt distorted octahedral coordination geometry. UV-Vis, photoluminescence, cyclic voltammetry were employed for studying the photophysical and electrochemical properties. These complexes exhibit intense phosphorescence in toluene solution at room temperature with high quantum efficiencies (0.07-0.58) and submicrosecond lifetimes (0.57-0.87 mu s). (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.05.010

文献信息

• 芳胺类化合物及制备方法、有机电致发光器件和显示装置
  申请人：吉林奥来德光电材料股份有限公司

  公开号：CN113121493B

  公开（公告）日：2022-05-20

  本发明公开了一种芳胺类化合物及制备方法、有机电致发光器件和显示装置，属于化学及有机发光材料技术领域，该芳胺类化合物的结构通式为：式中，X1、X2、X3、X4选自C、N、O、S中的任一种，且不全为C；Ar1、Ar2、Ar3、Ar4独立地表示取代或未取代的芳基、取代或未取代的杂芳基、取代或未取代的稠环基、取代或未取代的螺环基、与相邻取代基连接形成的单环或脂肪族环或芳香族环中的任一种。本发明提供的芳胺类化合物含有芳胺和五元杂环结构，具有较高的玻璃化温度和空间位阻效应，从而具有优越的薄膜稳定性，且在可见光领域折射率高，在应用于OLED器件的盖帽层后，可有效提升OLED器件的光取出效率。
• 피리미딘계 화합물 및 이를 이용한 유기발광소자
  申请人：LT Materials Co.,Ltd. 엘티소재주식회사(120060104982) Corp. No ▼ 110111-3251082BRN ▼104-81-94599

  公开号：KR20150076503A

  公开（公告）日：2015-07-07

  본 발명은 피리미딘계 화합물 및 이를 포함하는 유기발광소자에 관한 것이다.

  本发明涉及嘧啶类化合物及其包含的有机发光器件。
• Oxadiazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device Using Oxadiazole Derivative
  申请人：Nomura Hiroko

  公开号：US20100244673A1

  公开（公告）日：2010-09-30

  An object is to provide a novel oxadiazole derivative represented by General Formula (G1) as a substance having a high electron-transport property. In the formula, Ar 1 represents a substituted or unsubstituted aryl group having 6 to 10 carbon atoms in a ring. When Ar 1 has a substituent, the substituent is an alkyl group having 1 to 4 carbon atoms or an aryl group having 6 to 10 carbon atoms in a ring. Ar 2 represents a substituted or unsubstituted aryl group having 6 to 10 carbon atoms in a ring or a substituted or unsubstituted heteroaryl group having 4 to 9 carbon atoms. When Ar 2 has a substituent, the substituent is an alkyl group having 1 to 4 carbon atoms or an aryl group having 6 to 10 carbon atoms in a ring. R 1 and R 2 independently represent a hydrogen atom or an alkyl group having 1 to 4 carbon atoms.

  本发明的目的是提供一种新型的氧代二唑衍生物，其通式为（G1），作为具有高电子传输性能的物质。在该式中，Ar1代表一个带有6至10个碳原子的环中取代或未取代的芳基基团。当Ar1具有取代基时，该取代基是一个具有1至4个碳原子的烷基基团或一个带有6至10个碳原子的环中取代的芳基基团。Ar2代表一个带有6至10个碳原子的环中取代或未取代的芳基基团，或一个带有4至9个碳原子的取代或未取代的杂环基团。当Ar2具有取代基时，该取代基是一个具有1至4个碳原子的烷基基团或一个带有6至10个碳原子的环中取代的芳基基团。R1和R2分别代表一个氢原子或一个具有1至4个碳原子的烷基基团。
• Oxadiazole derivative, and light-emitting element, light-emitting device, electronic device, and lighting device using oxadiazole derivative
  申请人：Nomura Hiroko

  公开号：US08481176B2

  公开（公告）日：2013-07-09

  An object is to provide a novel oxadiazole derivative represented by General Formula (G1) as a substance having a high electron-transport property. In the formula, Ar1 represents a substituted or unsubstituted aryl group having 6 to 10 carbon atoms in a ring. When Ar1 has a substituent, the substituent is an alkyl group having 1 to 4 carbon atoms or an aryl group having 6 to 10 carbon atoms in a ring. Ar2 represents a substituted or unsubstituted aryl group having 6 to 10 carbon atoms in a ring or a substituted or unsubstituted heteroaryl group having 4 to 9 carbon atoms. When Ar2 has a substituent, the substituent is an alkyl group having 1 to 4 carbon atoms or an aryl group having 6 to 10 carbon atoms in a ring. R1 and R2 independently represent a hydrogen atom or an alkyl group having 1 to 4 carbon atoms.

  本发明旨在提供一种新颖的氧代二唑衍生物，其由通式（G1）所表示，作为具有高电子传输性能的物质。在该式中，Ar1表示具有6至10个碳原子环中的取代或未取代芳基基团。当Ar1具有取代基时，取代基是具有1至4个碳原子的烷基基团或具有6至10个碳原子环中的芳基基团。Ar2表示具有6至10个碳原子环的取代或未取代芳基基团或具有4至9个碳原子的取代或未取代杂环芳基基团。当Ar2具有取代基时，取代基是具有1至4个碳原子的烷基基团或具有6至10个碳原子环中的芳基基团。R1和R2分别表示氢原子或具有1至4个碳原子的烷基基团。