2,6-diamino-4-(3-chlorophenyl)pyrimidine-5-carbonitrile | 1132094-27-9

• 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: 2,6-diamino-4-(3-chlorophenyl)pyrimidine-5-carbonitrile
• 英文别名: 6-(3-chlorophenyl)-2,4-diamino-5-pyrimidinecarbonitrile；2,4-diamino-6-(3-chlorophenyl)pyrimidine-5-carbonitrile；2,4-Diamino-6-(3-chlorophenyl)-5-pyrimidinecarbonitrile
• CAS: 1132094-27-9
• 化学式: C₁₁H₈ClN₅
• 分子量: 245.671
• InChiKey: MGWDEHCCCSHCHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  碳酸胍 、 3-氯苯甲醛 、 丙二腈 在 sodium hydroxide 作用下， 以85%的产率得到2,6-diamino-4-(3-chlorophenyl)pyrimidine-5-carbonitrile
  参考文献：
  名称：

  Efficient and Facile Synthesis of 2,4-Diamino-6-arylpyrimidine-5-carbonitrile Under Solvent-Free Conditions

  摘要：

  An efficient and convenient method for the preparation of 2,4-diamino-6-arylpyrimidine-5-carbonitrile derivatives by the one-pot reaction of aromatic aldehydes, malononitrile, and guanidine carbonate, in the presence of sodium hydroxide under solvent-free conditions, was reported. This method has the advantages of excellent yields, mild reaction conditions, easy work up, and environmental friendliness over the existing procedures.

  DOI：

  10.1080/00397910902987784

文献信息

• Nickel(II) Chromite Nanoparticles: An Eco-Friendly and Reusable Catalyst for Synthesis of 2,4-Diamino-6-aryl-pyrimidine-5-yl Cyanides under Ultrasonic Radiation
  作者：Bahareh Saeedi、Shahrzad Abdolmohammadi、Zohreh Mirjafary、Reza Kia-Kojoori

  DOI：10.2174/1386207323666200808180527

  日期：2021.3

  within short reaction times (15 min). All synthesized compounds were well characterized by IR, 1H and 13C NMR spectroscopy, and also by elemental analyses. Conclusion: In conclusion, a simple, efficient, and green synthesis of 2,4-diamino-6-arylpyrimidine- 5-yl cyanides was developed using NiCr2O4 NPs as a green nanocatalyst, and under ultrasound radiation as a green tool. The mild reaction conditions

  背景：绿色化学研究领域的主要因素之一是使用超声波作为一种多功能合成工具来驱动化学反应。此外，纳米结构的金属盐在化学反应中作为低成本、高效、多相和绿色的催化剂占有重要地位。嘧啶也具有重要意义，因为它是各种天然和非天然物质的核心结构，其中许多表现出多种生物活性和医学应用。 目的：本研究的目的是探索镍 (II) 铬铁矿纳米粒子 (NiCr 2 O 4 NPs) 作为绿色可回收催化剂在合成 2,4-二氨基-6-芳基嘧啶-5-基氰化物中的作用。在超声波辐射下。 方法：以NiCr 2 O 4 NPs为有效的多相催化剂，在室温条件下，在超声辐射下进行硝酸胍、芳香醛和丙二腈的直接环缩合反应，制备2,4-二氨基-6-芳基-嘧啶-5高产率的-基氰化物。根据简单的水热路线成功制备了所描述的催化剂，并通过 X 射线衍射 (XRD) 技术、色散能 X 射线 (EDS) 分析、扫描电子显微镜 (SEM) 和动态光散射
• Deshmukh; Anbhule; Jadhav, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008, vol. 47, # 5, p. 792 - 795
  作者：Deshmukh、Anbhule、Jadhav、Jagtap、Patil、Salunkhe、Sankpal

  DOI：——

  日期：——
• Efficient and Facile Synthesis of 2,4-Diamino-6-arylpyrimidine-5-carbonitrile Under Solvent-Free Conditions
  作者：Liangce Rong、Hongxia Han、Lijiu Gao、Yisi Dai、Minxia Cao、Shujiang Tu

  DOI：10.1080/00397910902987784

  日期：2010.2.2

  An efficient and convenient method for the preparation of 2,4-diamino-6-arylpyrimidine-5-carbonitrile derivatives by the one-pot reaction of aromatic aldehydes, malononitrile, and guanidine carbonate, in the presence of sodium hydroxide under solvent-free conditions, was reported. This method has the advantages of excellent yields, mild reaction conditions, easy work up, and environmental friendliness over the existing procedures.