4-(4-Fluoro-phenyl)-6-p-tolyl-pyrimidin-2-ylamine | 84857-18-1

• 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: 4-(4-Fluoro-phenyl)-6-p-tolyl-pyrimidin-2-ylamine
• 英文别名: 4-(4-Fluorophenyl)-6-(4-methylphenyl)pyrimidin-2-amine
• CAS: 84857-18-1
• 化学式: C₁₇H₁₄FN₃
• 分子量: 279.317
• InChiKey: ULYKBYYIWIPMBG-UHFFFAOYSA-N

物化性质

• 熔点：
  139 °C(Solv: ethanol (64-17-5))
• 沸点：
  498.4±37.0 °C(Predicted)
• 密度：
  1.218±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-Fluoro-phenyl)-6-p-tolyl-pyrimidin-2-ylamine 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 15.0h， 生成 N-[4-(4-fluorophenyl)-6-(p-tolyl)pyrimidin-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
  参考文献：
  名称：

  简便的微波辅助“一锅”合成哌嗪嘧啶嘧啶基乙酰胺，一类杂双双杂环化合物并利用NMR光谱技术对其结构进行阐明

  摘要：

  NaHSO 4 .SiO 2催化剂在干燥介质中，通过微波辐照在“一锅”中合成了一系列新型哌嗪子嘧啶基乙酰胺，一类杂化双杂环，并通过熔点，元素分析，MS， FT-IR，一维NMR（1 H和13 C）和二维1 H - 1 H COZY和1 H- 13 C HSQC光谱数据。

  DOI：

  10.1002/jhet.1046
• 作为产物：
  描述：

  对甲基苯乙酮 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 4-(4-Fluoro-phenyl)-6-p-tolyl-pyrimidin-2-ylamine
  参考文献：
  名称：

  简便的微波辅助“一锅”合成哌嗪嘧啶嘧啶基乙酰胺，一类杂双双杂环化合物并利用NMR光谱技术对其结构进行阐明

  摘要：

  NaHSO 4 .SiO 2催化剂在干燥介质中，通过微波辐照在“一锅”中合成了一系列新型哌嗪子嘧啶基乙酰胺，一类杂化双杂环，并通过熔点，元素分析，MS， FT-IR，一维NMR（1 H和13 C）和二维1 H - 1 H COZY和1 H- 13 C HSQC光谱数据。

  DOI：

  10.1002/jhet.1046

文献信息

• Design, Synthesis and Spectral Characterization of Novel 2-morpholino-N-(4,6-diarylpyrimidin-2-yl)acetamides
  作者：Vijayakumar Kanagarajan、Jayaraman Thanusu、Mannathusamy Gopalakrishnan

  DOI：10.5012/jkcs.2010.54.01.049

  日期：2010.2.20

  무수탄산칼륨 존재 하에서 2-chloro-N-(4,6-diarylpyrimidin-2-yl)acetamides 25-33를 모르포린과 축합 반응시켜서 2-morpholino-N-(4,6-diarylpyrimidin-2yl)acetamides 34-42 화합물들을 합성하였다. 합성된 화합물들의 녹는점, 원소분석, MS, FT-IR, $^1H$- & $^13}C$-NMR로 화학적인 구조를 규명되었다. A new series of novel 2-morpholino-N-(4,6-diarylpyrimidin-2-yl)acetamides 34-42 is synthesized by the condensation of 2-chloro-N-(4,6-diarylpyrimidin-2-yl)acetamides 25-33 with morpholine in the presence of anhydrous potassium carbonate. The synthesized compounds have been characterized by melting point, elemental analysis, MS, FT-IR, one-dimensional NMR ($^1H$ & $^13}C$) spectroscopic data.

  在无水碳酸钾存在下，通过将2-氯-N-(4,6-二芳基嘧啶-2-基)乙酰胺25-33与莫尔福林缩合反应，合成了一系列新的2-莫尔福林-N-(4,6-二芳基嘧啶-2-基)乙酰胺34-42。合成的化合物通过熔点、元素分析、质谱（MS）、傅里叶变换红外光谱（FT-IR）以及一维核磁共振（$^1H$ & $^13}C$）光谱数据进行了表征。
• Acceptorless Dehydrogenative Synthesis of Pyrimidines from Alcohols and Amidines Catalyzed by Supported Platinum Nanoparticles
  作者：Sharmin Sultana Poly、S. M. A. Hakim Siddiki、Abeda S. Touchy、Kah Wei Ting、Takashi Toyao、Zen Maeno、Yasuharu Kanda、Ken-ichi Shimizu

  DOI：10.1021/acscatal.8b02814

  日期：2018.12.7

  Pt-catalyzed acceptorless dehydrogenation of the alcohol substrate, which is followed by sequential condensation, cyclization, and dehydrogenation. Measurements of the turnover frequency combined with the results of density functional theory calculations on different metal surfaces suggest that the adsorption energy of H on the Pt surface is optimal for the acceptorless dehydrogenation process, which causes

  一种单锅无受体脱氢方法，使用碳载Pt催化剂（Pt / C）和KO t已开发出用于从仲和伯醇和synthesis合成2,4,6-三取代的嘧啶的Bu。使用各种各样的底物范围（32个实例，分离出的收率高达92％）有效地进行了反应。促进此过程的Pt / C催化剂可重复使用，并且比以前报道的方法具有更高的周转率（TON）。机理研究的结果表明，该过程是通过以下途径发生的，该途径始于Pt催化的醇底物的无受体脱氢，然后依次进行缩合，环化和脱氢。
• Al-Hajjar, Farouk H.; Sabri, Salim S., Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 1087 - 1092
  作者：Al-Hajjar, Farouk H.、Sabri, Salim S.

  DOI：——

  日期：——
• Synthesis and in vitro microbiological evaluation of an array of biolabile 2-morpholino-N-(4,6-diarylpyrimidin-2-yl)acetamides
  作者：V. Kanagarajan、J. Thanusu、M. Gopalakrishnan

  DOI：10.1016/j.ejmech.2009.12.068

  日期：2010.4

  Biolabile 2-morpholino-N-(4,6-diarylpyrimidin-2-yl)acetamides 34-42 have been synthesized and evaluated for their in vitro antibacterial and antifungal activities. The minimum inhibitory concentration tested for the same compounds against the same set of bacterial and fungal strains shows that the compounds 36 and 38 against beta-Heamolytic streptococcus and Klebsiella pneumonia, 40 against Escherichia coli and Pseudomonas, have excellent antibacterial activity. Compounds 36, 38 and 42 show inhibition against Aspergillus flavus, compound 41 against Microsporum gypsuem, 42 against Mucor, and compounds 39 and 40 against Rhizopus. (c) 2010 Elsevier Masson SAS. All rights reserved.
• Synthesis, anticonvulsant and toxicity screening of newer pyrimidine semicarbazone derivatives
  作者：Ozair Alam、Pooja Mullick、S.P. Verma、Sadaf J. Gilani、Suroor A. Khan、Nadeem Siddiqui、Waquar Ahsan

  DOI：10.1016/j.ejmech.2010.02.031

  日期：2010.6

  A number of N-(4,6-substituted diphenylpyrimidin-2-yl) semicarbazones (4a-t) were synthesized and tested for their anticonvulsant activity against the two seizure models, maximal electroshock seizure (MES) and subcutaneous pentylenetetrazole (scPTZ) All the synthesized compounds possessed the four essential pharmacophoric elements for good anticonvulsant activity. Most of the compounds displayed good anticonvulsant activity with lesser neurotoxicity. To assess the unwanted effects of the compounds on liver, estimation of enzymes and proteins was carried out.