1-苯基异苯并呋喃 | 103934-83-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异苯并呋喃
• 中文名称: 1-苯基异苯并呋喃
• 英文名称: 1-phenylisobenzofuran
• 英文别名: Phenylisobenzofuran；1-phenyl-2-benzofuran
• CAS: 103934-83-4
• 化学式: C₁₄H₁₀O
• 分子量: 194.233
• InChiKey: KIIGPNDJMVHUSL-UHFFFAOYSA-N

物化性质

• 沸点：
  336.3±11.0 °C(Predicted)
• 密度：
  1.131±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-苯基异苯并呋喃 在 甲烷磺酸 作用下， 以 乙醚 、 苯 为溶剂， 反应 9.0h， 生成 2-methyl-4-phenyl-1H-benzisoindole-1,3(2H)-dione
  参考文献：
  名称：

  Stereochemistry of lithium dialkylamide-induced 1,4-eliminations leading to substituted isobenzofurans

  摘要：

  DOI：

  10.1021/jo00370a019
• 作为产物：
  描述：

  邻苯甲酰苯甲酸 在 氢氧化钾 、 sodium tetrahydroborate 作用下， 反应 12.0h， 生成 1-苯基异苯并呋喃
  参考文献：
  名称：

  Stereochemistry of lithium dialkylamide-induced 1,4-eliminations leading to substituted isobenzofurans

  摘要：

  DOI：

  10.1021/jo00370a019

文献信息

• POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US20200207787A1

  公开（公告）日：2020-07-02

  A polycyclic aromatic compound in which a plurality of aromatic rings are connected by a boron atom and an oxygen atom, a sulfur atom or a selenium atom and substituted by a specific aryl such as anthracene, is useful as a material for an organic device. By the polycyclic aromatic compound, an organic EL device having at least one of efficiency and device life can be provided.

  一种多环芳香化合物，其中多个芳香环通过硼原子和氧原子、硫原子或硒原子连接，并以特定的芳基（如蒽）取代，可用作有机器件的材料。通过这种多环芳香化合物，可以提供至少在效率和器件寿命方面具有优势的有机EL器件。
• POLYCYCLIC AROMATIC COMPOUND
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US20180069182A1

  公开（公告）日：2018-03-08

  By providing a novel polycyclic aromatic compound in which a plurality of aromatic rings are linked via a boron atom, a nitrogen atom, or the like, options of a material for an organic EL element are increased. In addition, by using the novel polycyclic aromatic compound as a material for an organic electroluminescent element, an excellent organic EL element is provided.

  通过提供一种新型的多环芳香化合物，其中多个芳香环通过硼原子、氮原子或类似物连接，增加了有机EL元件材料的选择。此外，通过将新型多环芳香化合物用作有机电致发光元件的材料，提供了优秀的有机EL元件。
• Organic electroluminescent element
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US11139438B2

  公开（公告）日：2021-10-05

  By manufacturing an organic EL element using a material for a light emitting layer including a pyrene-based compound represented by the following formula (2) as a host material and a polycyclic aromatic compound in which a plurality of aromatic rings is linked with a boron atom and a nitrogen atom or an oxygen atom as a dopant material, an organic EL element having, for example, excellent light emission efficiency is provided. In the above formula (2), at least one hydrogen atom in a pyrene moiety may be substituted by an aryl having 6 to 10 carbon atoms or the like. Ar represents an aryl having 14 to 40 carbon atoms or a heteroaryl having 12 to 40 carbon atoms. These groups may be substituted by an aryl having 6 to 10 carbon atoms or the like. s and p each independently represent an integer of 1 or 2. s and p do not simultaneously represent 2. One or more hydrogen atoms in a compound represented by formula (2) may be each independently substituted by a halogen atom, cyano, or a deuterium atom.

  通过使用以下公式（2）表示的基于吡啶的化合物作为主体材料，并且使用多个芳香环与硼原子和氮原子或氧原子连接的多环芳香化合物作为掺杂材料，制造有机EL元件，其中包括用于发光层的材料，提供了例如具有优异发光效率的有机EL元件。在上述公式（2）中，吡啶基中的至少一个氢原子可以被芳基取代，该芳基具有6到10个碳原子或类似物。Ar代表具有14到40个碳原子的芳基或具有12到40个碳原子的杂环芳基。这些基团可以被具有6到10个碳原子的芳基或类似物取代。s和p分别独立表示为1或2的整数。s和p不同时表示为2。由公式（2）表示的化合物中的一个或多个氢原子可以分别被卤素原子、氰基或氘原子取代。
• Benzofluorene compound, emission materials and organic electroluminescent device
  申请人：Wang Guofang

  公开号：US20080160347A1

  公开（公告）日：2008-07-03

  Provided is a benzofluorene compound which exhibits excellent performances when applied to an organic electroluminescent device. In the benzofluorene compound, a central five-membered ring in a benzofluorene skeleton is substituted with aryl, and a benzene ring condensed to the five-membered ring is substituted with aryl, diarylamino and the like.

  提供的是一种苯并芴化合物，当应用于有机电致发光器件时表现出优异的性能。在这种苯并芴化合物中，苯并芴骨架中的中心五元环被芳基取代，而与五元环相邻的苯环被芳基、二芳基胺等取代。
• Time-integrated One-pot Synthesis, X-ray Structure, and Redox Properties of Electrochromic 1,3-Diarylisobenzofurans
  作者：Toshiyuki Hamura、Ryosuke Nakayama、Keisuke Hanada、Yuto Sakano、Ryo Katoono、Kenshu Fujiwara、Takanori Suzuki

  DOI：10.1246/cl.130479

  日期：2013.10.5

  1,3-Bis[4-(dimethylamino)phenyl]isobenzofuran (1a) and a derivative were efficiently prepared through a sequence of reactions in a single batch reactor (time integration). The o-quinodimethane-type π-conjugation in 1a was confirmed by bond alternation determined by a low-temperature X-ray analysis. Brightly colored heterocycle 1a undergoes reversible two-stage one-electron oxidation, and electrolysis of 1a induces a vivid change in UV–vis–NIR absorptions exhibiting several isosbestic points (electrochromism).

  通过在单个间歇反应器中进行一系列反应（时间整合），高效制备了 1,3-双[4-(二甲基氨基)苯基]异苯并呋喃（1a）及其衍生物。通过低温 X 射线分析确定的键交替证实了 1a 中的邻喹二甲烷型 π-共轭。颜色鲜艳的杂环 1a 经历了可逆的两级单电子氧化，电解 1a 会引起紫外-可见-近红外吸收的明显变化，显示出多个等距点（电致变色）。