4-amino-6-<4-(dimethylamino)phenyl>-2-phenyl-5-pyrimidine carbonitrile | 115071-96-0

• 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: 4-amino-6-<4-(dimethylamino)phenyl>-2-phenyl-5-pyrimidine carbonitrile
• 英文别名: 4-amino-6-(4'-N,N-dimethylaminophenyl)-2-phenylpyrimidine-5-carbonitrile；4-(4-nitrophenyl)-6-oxo-2-phenyl-1,6-dihydro-5-pyrimidinecarbonitrile；4-Amino-6-[4-(dimethylamino)phenyl]-2-phenylpyrimidine-5-carbonitrile
• CAS: 115071-96-0
• 化学式: C₁₉H₁₇N₅
• 分子量: 315.377
• InChiKey: GEWGSIUQATVOAN-UHFFFAOYSA-N

物化性质

• 熔点：
  160-162 °C(Solvent: Ethanol)
• 沸点：
  481.7±45.0 °C(predicted)
• 密度：
  1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  78.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ((4-(二甲基氨基)苯基)亚甲基)甲烷-1,1-二甲腈 在 哌啶 、 sodium 作用下， 以 乙醇 为溶剂， 反应 73.25h， 生成 4-amino-6-<4-(dimethylamino)phenyl>-2-phenyl-5-pyrimidine carbonitrile
  参考文献：
  名称：

  从5-Oxo-4 H-苯并吡喃一步合成氨基嘧啶

  摘要：

  一种新的4-氨基-6-芳基-2-苯基嘧啶-5-腈是从容易获得的4-芳基-2-氨基-3-氰基-5,6,7,8-四氢-7一步制备的。 ，7-二甲基-5-氧代-4 H-苯并吡喃。在EI条件下进行的质谱研究表明，具有高强度的分子峰对应于从嘧啶环的C2位上苯甲腈的损失。半经验（AMI和PM3）和从头开始的HF / 6-31G *计算显示了三个环不在同一平面上时偏爱的扭曲几何形状。

  DOI：

  10.1002/jhet.5570410406

文献信息

• Rapid three-component synthesis of pyrimidine and pyrimidinone derivatives in the presence of Bi(NO3)3·5H2O as a mild and highly efficient catalyst
  作者：Moahboobeh Zahedifar、Hassan Sheibani

  DOI：10.1007/s11164-013-1172-6

  日期：2015.1

  and highly efficient catalyst for the rapid synthesis of 4-amino-5-pyrimidine carbonitrile and pyrimidinone derivatives via three-component reaction of aldehydes, N-unsubstituted amidines, and malononitrile or ethyl cyanoacetate under thermal aqueous conditions. The reaction protocol is rapid and simple which is followed by formation of the corresponding pyrimidine and pyrimidinone derivatives in good

  硝酸铋（III）五水合物被发现是一种温和高效的催化剂，可通过醛，N-未取代的idine，丙二腈或氰基乙酸乙酯的三组分反应快速合成4-氨基-5-嘧啶腈和嘧啶酮衍生物。水热条件。该反应方案是快速且简单的，随后以高纯度至优良产率形成相应的嘧啶和嘧啶酮衍生物。
• Granulated copper oxide nanocatalyst: a mild and efficient reusable catalyst for the one-pot synthesis of 4-amino-5-pyrimidinecarbonitriles under aqueous conditions
  作者：Seyed Javad Ahmadi、Sodeh Sadjadi、Morteza Hosseinpour

  DOI：10.1007/s00706-011-0579-2

  日期：2011.11

  An efficient method for the synthesis of 4-amino-5-pyrimidinecarbonitriles by the three-component reaction of malononitrile, aldehydes, and N-unsubstituted amidines under aqueous conditions using CuO microspheres as catalyst is reported. The catalyst exhibited remarkable reusable activity.
• Three-Component Synthesis of Pyrimidine and Pyrimidinone Derivatives in the Presence of High-Surface-Area MgO, a Highly Effective Heterogeneous Base Catalyst
  作者：Hassan Sheibani、Mohammad Seifi、Ayoob Bazgir

  DOI：10.1080/00397910802474982

  日期：2009.2.25

  Magnesium oxide (MgO) effectively catalyzes the three-component reaction of aldehydes, amidine systems, and malononitrile or ethyl cyanoacetate to form 4-amino-5-pyrimidine carbonitrile and pyrimidinone derivatives, respectively. The salient features of this method include high conversions, short reaction times, cleaner reaction profiles, and the use of inexpensive and readily available catalyst.
• Reactiohs with α -thiocarbamoylcinnamonitriles: Synthesis of pyrazolo [1,5-a] pyrimidines
  作者：Sohair Mohamed Hussain、Ahmed Mohamed El-Reedy、Salwa Ahmed El-Sharabasy

  DOI：10.1016/s0040-4020(01)85113-9

  日期：1988.1
• HUSSAIN, SOHAIR MOHAMED;EL-REEDY, AHMED MOHAMED;EL-SHARABASY, SALWA AHMED, TETRAHEDRON, 44,(1988) N 1, 241-246
  作者：HUSSAIN, SOHAIR MOHAMED、EL-REEDY, AHMED MOHAMED、EL-SHARABASY, SALWA AHMED

  DOI：——

  日期：——