9-乙基-3,6-二甲基咔唑 | 51545-42-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 9-乙基-3,6-二甲基咔唑
• 英文名称: 9-ethyl-3,6-dimethyl-9H-carbazole
• 英文别名: 3,6-dimethyl-9-ethylcarbazole；9-ethyl-3,6-dimethylcarbazole；N-ethyl-3,6-dimethylcarbazole；9-ethyl-3,6-dimethyl-carbazole；9-Aethyl-3,6-dimethyl-carbazol
• CAS: 51545-42-7
• 化学式: C₁₆H₁₇N
• 分子量: 223.318
• InChiKey: CPBVTWVQIIIDPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  9-乙基-3,6-二甲基咔唑 、 3,6-二溴-9-苯基咔唑 在 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 作用下， 以 乙醚 为溶剂， 以81%的产率得到3,6-dimethyl-9-phenyl-9H-carbazole
  参考文献：
  名称：

  通过镍催化的交叉偶联方便地合成3,6-取代的咔唑

  摘要：

  经由镍与格氏试剂的偶联（Corriu-Kumada偶联），由相应的3,6-二溴咔唑高产率地制备3-位和6-位烷基，乙烯基和芳基取代的咔唑。

  DOI：

  10.1016/s0040-4020(98)00786-8
• 作为产物：
  描述：

  N-乙基咔唑 在 氢氧化钾 、 一水合肼 、 邻二氯苯 、 甲苯 、 三氯氧磷 、 二乙二醇 作用下， 生成 9-乙基-3,6-二甲基咔唑
  参考文献：
  名称：

  Potential Nitrogen-Heterocycle Carcinogens. XII. 9-Ethylcarbazole-3-Aldehyde and its Derivatives

  摘要：

  DOI：

  10.1021/jo50002a023
• 作为试剂：
  描述：

  (Ac)G(TMS)2 在 magnesium(II) perchlorate 、 9-乙基-3,6-二甲基咔唑 、 四氯化锡 作用下， 以 水 、 异丙醇 、 乙腈 为溶剂， 反应 5.0h， 生成 N²-acetyl-N9-(3-O-acetyl-5-O-benzoyl-2-deoxy-α-D-erythro-pentofuranosyl)guanine
  参考文献：
  名称：

  立体控制合成α-2'-脱氧核糖核苷

  摘要：

  已经实现了α-2'-脱氧核苷的立体控制合成。我们的合成策略涉及在阿拉伯糖的2位上使用苯甲酰基作为Vorbrüggen糖基化和脱氧前体的指导基团。

  DOI：

  10.1016/s0040-4039(97)10251-9

文献信息

• COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES
  申请人：Kyulux, Inc.

  公开号：US20190058130A1

  公开（公告）日：2019-02-21

  The present disclosure relates to compounds of Formula (I) as compounds capable of emitting delayed fluorescence, and uses of these compounds in organic light-emitting diodes.

  本公开涉及化合物I式化合物作为能够发射延迟荧光的化合物，以及这些化合物在有机发光二极管中的应用。
• Exciplex Emission of Carbazole–Terephthalate Cyclophane and Its Application as a Fluorescent Probe for Local Polarity of Solvents
  作者：Hiroaki Benten、Hideo Ohkita、Shinzaburo Ito、Masahide Yamamoto、Yasuo Tohda、Keita Tani

  DOI：10.1246/bcsj.77.393

  日期：2004.2

  Photophysical properties of carbazole–terephthalate cyclophane (Cz–TP) were studied. The absorption spectra of Cz–TP in various solvents were slightly broadened due to the distortion of the carbazole (Cz) moiety and became similar to that of a reference compound of carbazole–benzene cyclophane (Cz–Bz). The absorption spectrum and the peak wavelengths of Cz–TP were insensitive to the solvent polarity. These findings show that there is transannular π–π electronic interaction between the Cz and TP moieties but that the charge transfer interaction from the Cz to TP moieties is small in the ground state. On the other hand, the emission spectrum was broad, structureless, and red-shifted compared with that of the reference compound. The peak wavelength of the emission was shifted to a longer wavelength with increases in the dielectric constant of solvents. The peak shift was quantitatively explained by the Lippert–Mataga formula. Therefore, we conclude that the broad emission is due to the intramolecular exciplex in Cz–TP. The dielectric constant of 2-methyl tetrahydrofuran was evaluated from the exciplex emission of Cz–TP ranging from 77 to 292 K, indicating that the Cz–TP molecule is an excellent polarity probe not only in a liquid phase but also in a solid phase over a wide temperature range.

  研究了咔唑-对苯二甲酸酯环芳烷（Cz-TP）的光物理性质。由于咔唑 (Cz) 部分的变形，Cz-TP 在各种溶剂中的吸收光谱略有展宽，并且与咔唑-苯环芳 (Cz-Bz) 参考化合物的吸收光谱相似。 Cz-TP 的吸收光谱和峰值波长对溶剂极性不敏感。这些发现表明，Cz 和 TP 部分之间存在跨环 π-π 电子相互作用，但基态下从 Cz 到 TP 部分的电荷转移相互作用很小。另一方面，与参考化合物相比，发射光谱较宽、无结构且红移。随着溶剂介电常数的增加，发射的峰值波长移动到更长的波长。峰移由 Lippert-Mataga 公式定量解释。因此，我们得出结论，宽发射是由于 Cz-TP 中的分子内激基复合物造成的。通过 Cz-TP 在 77 至 292 K 范围内的激基复合物发射评估了 2-甲基四氢呋喃的介电常数，表明 Cz-TP 分子不仅在液相中而且在固相中都是优异的极性探针。温度范围宽。
• PHOSPHAPHENANTHRENE COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME
  申请人：Chung Kwang Choon

  公开号：US20100252818A1

  公开（公告）日：2010-10-07

  The present invention relates to new phosphaphenanthrene compounds with excellent light emitting property and an organic light emitting diode (OLED) using the same.

  本发明涉及具有优异的发光性质的新型磷代菲化合物及其所使用的有机发光二极管（OLED）。
• MATERIAL FOR FORMING ORGANIC FILM, PATTERNING PROCESS, COMPOUND, AND POLYMER
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20220214617A1

  公开（公告）日：2022-07-07

  A material for forming organic film contains (A) compound shown by general formula (1) and/or polymer having repeating unit shown by general formula (4), and (B) organic solvent. In formula (1), AR1, AR2, AR3, AR4, AR5, and AR6 each represent benzene ring or naphthalene ring; R1 represents any group shown in following formula (2); “n” represents integer of 1 or 2; and W represents divalent organic group having 2-50 carbon atoms. In formula (4), AR1, AR2, AR3, AR4, AR5, AR6, R1, “n”, and W are as defined above; and R2 and R3 each represent hydrogen atom or organic group having 1-20 carbon atoms, and optionally bond to each other within molecule to form cyclic organic group. An object provides a material for forming organic film to enable high etching resistance and excellent twisting resistance without impairing resin-derived carbon content; and compound and polymer suitable for material for forming organic film.

  一种用于形成有机薄膜的材料包含(A)通式(1)所示的化合物和/或具有通式(4)所示的重复单元的聚合物，以及(B)有机溶剂。在公式(1)中，AR1、AR2、AR3、AR4、AR5和AR6各代表苯环或萘环；R1代表以下公式(2)中显示的任何基团；“n”表示1或2的整数；W代表具有2-50个碳原子的二价有机基团。在公式(4)中，AR1、AR2、AR3、AR4、AR5、AR6、R1、“n”和W如上所定义；R2和R3各代表氢原子或具有1-20个碳原子的有机基团，并且可选择在分子内彼此结合形成环状有机基团。本发明提供了一种用于形成有机薄膜的材料，以实现高蚀刻抗性和优异的扭曲抗性，而不损害树脂衍生的碳含量；以及适用于形成有机薄膜的化合物和聚合物。
• Luminescent element material and luminescent element comprising the same
  申请人：TORAY INDUSTRIES INC.

  公开号：EP2365735A2

  公开（公告）日：2011-09-14

  A light emitting device is characterised in that it is a device having a structure in which at least an anode, an emissive layer, an electron transporting layer and a cathode are provided as layers in turn, and which emits light by means of electrical energy, and said device has a benzoquinoline derivative. The benzoquinoline derivative may have a plurality of benzoquinone skeletal structures, including a plurality of benzoquinone skeletal structures connected by conjugated bonds, an aromatic hydrocarbon, an aromatic heterocycle or mixture thereof. Example light emitting devices have a structure in which at least an anode, an emissive layer, an electron transporting layer and a cathode are provided as layers in turn and which emits light by means of electrical energy, and the organic compound is an organic compound of molecular weight at least 400, glass transition temperature at least 90°C, ionization potential at least 5.9 eV and having a benzoquinoline skeletal structure.

  一种发光器件，其特征在于它是一种具有至少阳极、发射层、电子传输层和阴极依次作为层的结构，并通过电能发光的器件，所述器件具有苯并喹啉衍生物。苯并喹啉衍生物可具有多个苯醌骨架结构，包括通过共轭键连接的多个苯醌骨架结构、芳香烃、芳香杂环或它们的混合物。 示例发光器件具有至少阳极、发射层、电子传输层和阴极作为层依次设置的结构，该结构通过电能发光，而有机化合物是分子量至少为 400、玻璃化温度至少为 90°C、电离电位至少为 5.9 eV 且具有苯并喹啉骨架结构的有机化合物。