4-(二氰基甲撑)-2-叔丁基-6-(1,1,7,7-四甲基久洛尼啶-9-烯基)-4H-吡喃 | 200052-70-6

• 物质功能分类: 医药中间体 - OLED材料中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 4-(二氰基甲撑)-2-叔丁基-6-(1,1,7,7-四甲基久洛尼啶-9-烯基)-4H-吡喃
• 中文别名: 4-(二氰基亚甲基)-2-叔丁基-6-(1,1,7,7-四甲基久罗尼定基-4-乙烯基)-4H-吡喃/DCJTB；(E)-4-二腈亚甲基-2-叔丁基-6-(1,1,7,7-四甲基久洛尼定乙烯基)吡喃；4-(二氰乙烯基)-2-叔丁基-6-(1,1,7,7-四甲基久落尼定基-4-乙烯基)-4H-吡喃；DCJTB4-(二氰基亚甲基)-2-叔丁基-6-(1,1,7,7-四甲基久罗尼定基-4-乙烯基)-4H-吡喃；2-叔丁基-4-(二氰基亚甲基)-6-[2-(1,1,7,7-四甲基久洛尼定-9-基)乙烯基]-4H-吡喃；LT-E704
• 英文名称: 4-(dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H-pyran
• 英文别名: Dcjtb；2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]propanedinitrile
• CAS: 200052-70-6
• 化学式: C₃₀H₃₅N₃O
• 分子量: 453.627
• InChiKey: HXWWMGJBPGRWRS-CMDGGOBGSA-N

物化性质

• 熔点：
  298-303°C (exp.)
• 沸点：
  561.1±50.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)
• 最大波长(λmax)：
  510nm(THF)(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  60
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  29349990
• WGK Germany：
  3
• 危险性防范说明：
  P501,P270,P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313,P301+P312+P330
• 危险性描述：
  H302,H315,H319

反应信息

• 作为产物：
  描述：

  2-(2-叔丁基-6-甲基-4-吡喃亚基)丙二腈 、 9-醛基-1,1,7,7-四甲基久洛尼 在 哌啶 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成 4-(二氰基甲撑)-2-叔丁基-6-(1,1,7,7-四甲基久洛尼啶-9-烯基)-4H-吡喃
  参考文献：
  名称：

  RED ORGANIC ELECTROLUMINESCENT MATERIALS

  摘要：

  一种红色荧光材料，包括公式I的化合物：1其中R1、R2、R3、R4、R5和R6各自独立地表示具有1至10个碳原子的线性或支链脂肪基或具有5至20个碳原子的芳香基。

  公开号：

  US20030193043A1

文献信息

• ANTHRACENE DERIVATIVE AND LIGHT-EMITTING DEVICES, ELECTRONIC DEVICES, AND LIGHTING DEVICE USING THE ANTHRACENE DERIVATIVE
  申请人：Ogita Kaori

  公开号：US20100099890A1

  公开（公告）日：2010-04-22

  An anthracene derivative is disclosed, and a light-emitting element, a light-emitting device, an electronic device, and a lighting device using the anthracene derivatives are demonstrated. The structure of the anthracene derivative is described in detail in the specification. The use of the anthracene derivative enables the production of a blue emissive light-emitting element having high emission efficiency, excellent purity of emission color, and a long lifetime, which contributes to the production of a high-performance light-emitting device, electronic device, and lighting device.

  揭示了一种蒽衍生物，并展示了使用该蒽衍生物的发光元件、发光装置、电子设备和照明装置。蒽衍生物的结构在说明书中被详细描述。使用蒽衍生物可以生产具有高发射效率、发射颜色纯度优异和长寿命的蓝色发光元件，有助于生产高性能的发光装置、电子设备和照明装置。
• Organic Compound, Light-Emitting Element, Display Module, Lighting Module, Light-Emitting Device, Display Device, Electronic Device, and Lighting Device
  申请人：Semiconductor Energy Laboratory Co., Ltd.

  公开号：US20150243892A1

  公开（公告）日：2015-08-27

  A light-emitting element with high emission efficiency. The light-emitting element includes a pair of electrodes and an EL layer between the pair of electrodes. In the light-emitting element, the EL layer contains at least a light-emitting material, the light-emitting material is a 1,6-bis(diphenylamino)pyrene derivative, and a structural change between an excited state and a ground state in the 1,6-bis(diphenylamino)pyrene derivative is smaller than that in a 1,6-bis(diphenylamino)pyrene derivative in which hydrogen is bonded to ortho positions of two phenyl groups of each of two diphenylamino groups.

  一个发光效率高的发光元件。该发光元件包括一对电极和一对电极之间的EL层。在发光元件中，EL层包含至少一种发光材料，发光材料为1,6-双(二苯基氨基)芘衍生物，且1,6-双(二苯基氨基)芘衍生物在激发态和基态之间的结构变化小于在每个二苯基氨基组的两个苯基的邻位上连接氢的1,6-双(二苯基氨基)芘衍生物。
• ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD.

  公开号：US20190263735A1

  公开（公告）日：2019-08-29

  This invention relates to an OLED, comprising an anode, a cathode, and an organic layer, the organic layer at least contains one or more layers containing light emitting layer from the hole injection layer, hole transport layer, electron injection layer, electron transport layer, light emitting layer; the light emitting layer is a host guest doping system composed of host materials and guest materials. The light-emitting zone of the light emitting layer is 490-750 nm, and the host material has a structure with the formula (I). The OLED can emit red or green light, with the advantages of excellent light emitting efficiency, excellent color purity and long lifetime.

  这项发明涉及一种有机发光二极管（OLED），包括阳极、阴极和有机层，该有机层至少包含一个或多个层，从空穴注入层、空穴传输层、电子注入层、电子传输层、发光层中至少包含一个或多个层；发光层是由主体材料和客体材料组成的主客体掺杂系统。发光层的发光区域为490-750纳米，主体材料具有结构式（I）。该OLED可以发出红光或绿光，具有优异的发光效率、优异的色彩纯度和长寿命的优点。
• Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device
  申请人：Semiconductor Energy Laboratory Co., Ltd.

  公开号：US20160028027A1

  公开（公告）日：2016-01-28

  An object is to provide a novel organometallic complex. Another object is to provide an organometallic complex exhibiting green to blue phosphorescence. Another object is to provide an organometallic complex having deep HOMO and exhibiting green to blue phosphorescence. Another object is to provide a light-emitting element with high emission efficiency. Another object is to provide a light-emitting element exhibiting green to blue phosphorescence and having low drive voltage. To provide an organometallic complex which includes a 1,2,4-triazole skeleton and in which an N-carbazolyl group is bonded to the 3-position of the 1,2,4-triazole skeleton via a phenylene group, a phenyl group is bonded to the 4-position of the 1,2,4-triazole skeleton, the 2-position of the 1,2,4-triazole skeleton coordinates to iridium, and the phenylene group is bonded to the iridium. To provide a light-emitting element including the organometallic complex as an emission center.

  一个目的是提供一种新型的有机金属配合物。另一个目的是提供一种显示绿色到蓝色磷光的有机金属配合物。另一个目的是提供一种具有深层HOMO并能显示绿色到蓝色磷光的有机金属配合物。另一个目的是提供一种具有高发射效率的发光元件。另一个目的是提供一种显示绿色到蓝色磷光且驱动电压低的发光元件。提供一种包括1,2,4-三唑骨架的有机金属配合物，其中，一个N-咔唑基团通过一个苯环基团与1,2,4-三唑骨架的3-位键合，一个苯基团与1,2,4-三唑骨架的4-位键合，1,2,4-三唑骨架的2-位与铱配位，并且苯环基团与铱键合。提供一种包括上述有机金属配合物作为发射中心的发光元件。
• Light-Emitting Device Material, Electron-Transport Layer Material, Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device
  申请人：Semiconductor Energy Laboratory Co., Ltd.

  公开号：US20210336151A1

  公开（公告）日：2021-10-28

  A light-emitting device material with a low refractive index is provided. The light-emitting device material contains an organic compound which has a pyridine skeleton, a diazine skeleton, or a triazine skeleton and in which the proportion of carbon atoms forming a bond by sp 3 hybrid orbitals is within a certain range. The light-emitting device material contains an organic compound including at least one six-membered heteroaromatic ring having 1 to 3 nitrogen atoms and a plurality of aromatic hydrocarbon rings each having 6 to 14 carbon atoms in a ring. At least two of the plurality of aromatic hydrocarbon rings are benzene rings. The organic compound has a plurality of hydrocarbon groups forming a bond by the sp 3 hybrid orbitals. The ordinary refractive index of a layer containing the organic compound with respect to light with a wavelength in the range from 455 nm to 465 nm is 1.5 to 1.75.

  提供了一种低折射率的发光设备材料。该发光设备材料含有一种有机化合物，该有机化合物具有吡啶骨架、嘧啶骨架或三嗪骨架，并且其中通过sp3杂化轨道形成键的碳原子比例在一定的范围内。发光设备材料含有至少一个六元杂环芳族环，该六元杂环芳族环具有1至3个氮原子和多个六至十四个碳原子的芳香烃环。至少两个上述多个芳香烃环是苯环。该有机化合物具有多个通过sp3杂化轨道形成键的碳氢化合物基团。含有该有机化合物的层相对于波长在455纳米至465纳米范围内的光的普通折射率为1.5至1.75。