2-chloro-4-phenyl-9H-pyrimido[4,5-b]indole | 524047-80-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-chloro-4-phenyl-9H-pyrimido[4,5-b]indole
• CAS: 524047-80-1
• 化学式: C₁₆H₁₀ClN₃
• 分子量: 279.728
• InChiKey: WMUUSLSKTBPNCN-UHFFFAOYSA-N

物化性质

• 密度：
  1.400±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-chloro-4-phenyl-9H-pyrimido[4,5-b]indole 在 sodium azide 作用下， 以 二甲基亚砜 为溶剂， 反应 6.0h， 以95%的产率得到2-azido-4-phenyl-9H-pyrimido[4,5-b]indole
  参考文献：
  名称：

  摘要：

  A method was developed for the synthesis of 2-oxo-4-phenyl-2,3-dihydro-9H-pyrimido[4,5-b]indole as well as of 2-chloro- and 2-nitramino-4-phenylpyrimido[4,5-b]indoles. The replacement of the chlorine atom in 2-chloropyrimidoindole gave rise to a number of its functional derivatives (morpholino, azido, and cyano). The reaction of 2-chloro-substituted pyrimidoindole with hydrazine hydrate and catalytic hydrogenation of 2-nitraminopyrimidoindole were studied.

  DOI：

  10.1023/a:1021688616234
• 作为产物：
  描述：

  2-amino-4-phenyl-9H-pyrimido[4,5-b]indole 在 溶剂黄146 、 N,N-二甲基甲酰胺 、 sodium nitrite 、 三氯氧磷 作用下， 反应 8.0h， 生成 2-chloro-4-phenyl-9H-pyrimido[4,5-b]indole
  参考文献：
  名称：

  摘要：

  A method was developed for the synthesis of 2-oxo-4-phenyl-2,3-dihydro-9H-pyrimido[4,5-b]indole as well as of 2-chloro- and 2-nitramino-4-phenylpyrimido[4,5-b]indoles. The replacement of the chlorine atom in 2-chloropyrimidoindole gave rise to a number of its functional derivatives (morpholino, azido, and cyano). The reaction of 2-chloro-substituted pyrimidoindole with hydrazine hydrate and catalytic hydrogenation of 2-nitraminopyrimidoindole were studied.

  DOI：

  10.1023/a:1021688616234

文献信息

• [EN] MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES<br/>[FR] MATÉRIAUX POUR DISPOSITIFS ÉLECTROLUMINESCENTS ORGANIQUES
  申请人：MERCK PATENT GMBH

  公开号：WO2017186760A1

  公开（公告）日：2017-11-02

  The present invention relates to compounds of formula (1). The compounds are suitable for use in electronic devices, in particular organic electroluminescent devices, comprising these compounds. In some embodiments, the compounds are used as matrix materials for phosphorescent or fluorescent emitters as well as a hole-blocking or electron-transport

  本发明涉及化合物的公式（1）。这些化合物适用于电子设备，特别是包括这些化合物的有机电致发光器件。在某些实施例中，这些化合物被用作荧光或磷光发射体的基质材料，同时也可用作阻挡正空穴或电子传输。
• Synthesis of 2-thio derivatives of 4-phenyl-9H-pyrimido[4,5-b]indole
  作者：V. P. Borovik、V. G. Vasil’ev、O. P. Shkurko

  DOI：10.1007/s11172-006-0379-8

  日期：2006.6

  The reaction of 3-benzylidene-2-ethoxyindolenine tetrafluoroborate with thiourea gives a mixture of 4-phenylpyrimido[4,5-b]indole-2(1H)-thione, its 3,4-dihydro derivative, and the corresponding disulfide, the product ratio depending on the reaction conditions. A number of transformations of the resulting compounds, in particular, those giving 2-alkylthio pyrimidoindole derivatives are described.

  3-亚苄基-2-乙氧基吲哚啉四氟硼酸盐与硫脲反应生成 4-苯基嘧啶并[4,5-b]吲哚-2(1H)-硫酮、其 3,4-二氢衍生物和相应的二硫化物的混合物，产物比例取决于反应条件。描述了所得化合物的许多转化，特别是那些产生 2-烷硫基嘧啶并吲哚衍生物的转化。
• MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES
  申请人：Merck Patent GmbH

  公开号：EP3448866B1

  公开（公告）日：2020-06-17