9-isopropyl-β-carboline | 1433877-48-5

• 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
• 英文名称: 9-isopropyl-β-carboline
• 英文别名: 9-(1-Methylethyl)-9H-pyrido[3,4-b]indole；9-propan-2-ylpyrido[3,4-b]indole
• CAS: 1433877-48-5
• 化学式: C₁₄H₁₄N₂
• 分子量: 210.279
• InChiKey: CDDFLRYFJHXVRO-UHFFFAOYSA-N

物化性质

• 沸点：
  371.3±24.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  9-isopropyl-β-carboline 、 溴甲苯 以 乙酸乙酯 为溶剂， 以97%的产率得到2-benzyl-9-isopropyl-β-carbolinium bromide
  参考文献：
  名称：

  Synthesis and structure–activity relationships of N2-alkylated quaternary β-carbolines as novel antitumor agents

  摘要：

  A series of novel N-2-alkylated quaternary beta-carbolines was synthesized by modification of position-1, 2,7 and 9 of beta-carboline nucleus with various alkyl and arylated alkyl substituents, and their cytotoxic activities in vitro and antitumor potencies in mice were evaluated. Compound 3m was found to be the most potent antitumor agent. SARs analysis revealed that (1) the substituents in position-2 and 9 of beta-carboline nucleus played a vital role in modulation of antitumor activity; (2) the benzyl and 3-phenylpropyl substituents in position-2 and 9 of beta-carboline ring were the optimal substituents giving rise to significant antitumor agent. These compounds might be a novel promising class of antitumor agents with clinical development potential. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.04.031
• 作为产物：
  描述：

  9H-吡啶[3,4-b]吲哚 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到9-isopropyl-β-carboline
  参考文献：
  名称：

  Synthesis and structure–activity relationships of N2-alkylated quaternary β-carbolines as novel antitumor agents

  摘要：

  A series of novel N-2-alkylated quaternary beta-carbolines was synthesized by modification of position-1, 2,7 and 9 of beta-carboline nucleus with various alkyl and arylated alkyl substituents, and their cytotoxic activities in vitro and antitumor potencies in mice were evaluated. Compound 3m was found to be the most potent antitumor agent. SARs analysis revealed that (1) the substituents in position-2 and 9 of beta-carboline nucleus played a vital role in modulation of antitumor activity; (2) the benzyl and 3-phenylpropyl substituents in position-2 and 9 of beta-carboline ring were the optimal substituents giving rise to significant antitumor agent. These compounds might be a novel promising class of antitumor agents with clinical development potential. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.04.031

文献信息

• [EN] COMPOSITION OF MATTER FOR USE ORGANIC LIGHT-EMITTING DIODES<br/>[FR] COMPOSITION DE MATIÈRE DESTINÉE À ÊTRE UTILISÉE DANS DES DIODES ÉLECTROLUMINESCENTES ORGANIQUES
  申请人：KYULUX INC

  公开号：WO2019191454A1

  公开（公告）日：2019-10-03

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

  本公开涉及化合物的公式(I)、(II)或(III)作为能够发射延迟荧光的化合物，以及在有机发光二极管中使用这些化合物的用途。
• ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME
  申请人：LG Display Co., Ltd.

  公开号：US20200190100A1

  公开（公告）日：2020-06-18

  Discussed is an organic compound of Formula 1 and an organic light emitting diode and an OLED device including the organic compound. In the organic compound, Ar1 is a heteroaryl group comprising a nitrogen atom, and Ar2 is a C 6 to C 30 aryl group, and R is a C 1 to C 10 alkyl group. The organic compound may be included in an emitting material layer of the organic light emitting diode as a host such that an emitting efficiency and a lifespan of the organic light emitting diode and the OLED device are improved.

  讨论的是一种公式为1的有机化合物、一种有机发光二极管和包括该有机化合物的OLED设备。在该有机化合物中，Ar1是一个含有氮原子的杂环基团，Ar2是一个C6到C30的芳基基团，R是一个C1到C10的烷基基团。该有机化合物可以作为主机被包含在有机发光二极管的发射材料层中，从而提高有机发光二极管和OLED设备的发光效率和寿命。
• COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES
  申请人：Kyulux, Inc.

  公开号：US20190233412A1

  公开（公告）日：2019-08-01

  The present disclosure relates to compounds capable of emitting delayed fluorescence and uses of these compounds in organic light-emitting diodes.

  本公开涉及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。
• Composition of matter for use in organic light-emitting diodes
  申请人：Kyulux, Inc.

  公开号：US10644249B2

  公开（公告）日：2020-05-05

  The present disclosure relates to compounds of Formula (I), (II), (III), (IV), or (V): as compounds capable of emitting delayed fluorescence, and uses of the compounds in organic light-emitting diodes.

  本公开涉及式 (I)、(II)、(III)、(IV) 或 (V) 的化合物： 作为能够发出延迟荧光的化合物，以及这些化合物在有机发光二极管中的用途。
• Platinum complexes and devices
  申请人：ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY

  公开号：US11189808B2

  公开（公告）日：2021-11-30

  Platinum compounds of Formulas I and II useful in a variety of devices, such as, for example organic-light emitting diodes (OLEDs).

  式 I 和式 II 的铂化合物可用于各种设备，例如有机发光二极管（OLED）。