6-methyl-4-(4'-nitrophenyl)-2-phenylquinazoline | 128256-23-5

• 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: 6-methyl-4-(4'-nitrophenyl)-2-phenylquinazoline
• 英文别名: 6-Methyl-4-(4-nitrophenyl)-2-phenylquinazoline
• CAS: 128256-23-5
• 化学式: C₂₁H₁₅N₃O₂
• mdl: MFCD01062955
• 分子量: 341.369
• InChiKey: DTDOECZUBALMOB-UHFFFAOYSA-N

物化性质

• 熔点：
  189-190 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
• 沸点：
  450.5±27.0 °C(Predicted)
• 密度：
  1.270±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  71.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-Chloro-N'-(4-methylphenyl)benzamidine 在 sodium hydroxide 作用下， 以 xylene 为溶剂， 反应 12.17h， 生成 6-methyl-4-(4'-nitrophenyl)-2-phenylquinazoline
  参考文献：
  名称：

  1,3-二氮杂-1,3-二烯类化合物通过电环闭合的喹唑啉

  摘要：

  N-亚氨基亚氨基三苯基]膦烷与脂族和芳族醛反应，生成1,3-二氮杂-1,3-二烯中间体3,4-二氢喹唑啉和喹唑啉。反应产物之间的比例取决于所用的醛。

  DOI：

  10.1016/s0040-4039(00)94659-8

文献信息

• FACILE PREPARATION OF 4-SUBSTITUTED QUINAZOLINES AND RELATED HETEROCYCLES
  申请人：Wang Zerong Daniel

  公开号：US20120283436A1

  公开（公告）日：2012-11-08

  A straightforward single step method for the preparation and/or production of substituted quinazolines is disclosed, wherein said quinazolines preferably contain one substituent at position 4, and may contain other functional groups at various positions, such as 5, 6, 7, and/or 8 of quinazolines. In addition, the extension of this new method leads to the formation of different type of heterocyclic aromatic compounds, that include but are not limited to perimidines, anthrapyrimidin-7-ones (also known as anthrapyrimidinones), anthra[1,9:5,10]dipyrimidines (also known as quinazoline[5,4-ef]perimidines) and benzo[e]-pyrimido[4,5,6-gh]pyrimidines.

  本发明揭示了一种制备和/或生产取代喹唑啉的简单单步方法，其中所述喹唑啉优选在位置4处含有一个取代基，并且可能在喹唑啉的各种位置，例如5、6、7和/或8处含有其他官能团。此外，这种新方法的扩展还导致不同类型的杂环芳香化合物的形成，包括但不限于咪唑啉、蒽吡咯啉-7-酮（也称为蒽吡咯啉酮）、蒽[1,9:5,10]二咪唑啉（也称为喹唑啉[5,4-ef]咪唑啉）和苯并[e]-嘧啶[4,5,6-gh]嘧啶。
• A convenient synthesis of quinazoline ring by tandem aza-wittig reaction/lectrocyclic ring closure
  作者：Elisabetta Rossi、Daniela Calabrese、Francesca Farma

  DOI：10.1016/s0040-4020(01)86532-7

  日期：1991.7

  3,4-Dihydroquinazolines and Quinazolines were prepared starting from N'-aryl-N- (triphenylphosphoranilidene)-carboximidamides and aliphatic or aromatic aldehydes. The mechanism of the reaction is discussed.

  从N′-芳基-N-（三苯基磷苯二甲叉基）-羧亚胺化物和脂族或芳族醛开始制备3，4-二氢喹唑啉和喹唑啉。讨论了反应机理。
• Microwave Assisted Aza‐Wittig Reactions of N‐Imidoyliminophosphorane with Aldehydes: A Convenient and Selective Route to Quinazolines
  作者：Vipan Kumar、Ashwini Sharma、Mohinder P. Mahajan

  DOI：10.1081/scc-120027237

  日期：2004.12.31

  Abstract A novel synthetic strategy for the selective synthesis of biologically important quinazolines with shorter reaction times, better yields, lower energy inputs and hassle free work up using a domestic microwave oven is reported.

  摘要 报道了一种用于选择性合成具有生物学重要性的喹唑啉类化合物的新合成策略，该策略具有更短的反应时间、更高的产率、更低的能量输入和使用家用微波炉的轻松后处理。
• A catalyst- and solvent-free selective approach to biologically important quinazolines and benzo[g]quinazoline
  作者：Vipan Kumar、Chander Mohan、Manish Gupta、Mohinder P. Mahajan

  DOI：10.1016/j.tet.2005.01.118

  日期：2005.4

  A solvent-free and catalyst-free approach towards the selective synthesis of quinazolines and benzo[g] quinazolines has been developed using conventional microwave oven with excellent yields and reproducibilty. (c) 2005 Elsevier Ltd. All rights reserved.
• US9273012B2
  申请人：——

  公开号：US9273012B2

  公开（公告）日：2016-03-01