2-amino-4-(p-chlorophenyl)-6-methyl-3-pyridinecarbonitrile | 93953-36-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-amino-4-(p-chlorophenyl)-6-methyl-3-pyridinecarbonitrile
• 英文别名: 2-amino-4-(4-chlorophenyl)-6-methylnicotinonitrile；2-Amino-4-(4-chlorophenyl)-6-methyl-3-pyridinecarbonitrile；2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile
• CAS: 93953-36-7
• 化学式: C₁₃H₁₀ClN₃
• 分子量: 243.695
• InChiKey: OIADGIDTZVRINS-UHFFFAOYSA-N

物化性质

• 熔点：
  172-173 °C(Solv: ethanol, 95% (64-17-5))
• 沸点：
  439.6±45.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  62.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-(4-Chlorophenyl)-4-methyl-1-phenylpyrimidine-2-thione 、 丙二腈 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 7.0h， 以90%的产率得到2-amino-4-(p-chlorophenyl)-6-methyl-3-pyridinecarbonitrile
  参考文献：
  名称：

  Katoh, Akira; Omote, Yoshimori; Kashima, Choji, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 8, p. 2942 - 2946

  摘要：

  DOI：

文献信息

• One-pot synthesis of 2-amino-3-cyanopyridine derivatives catalyzed by ytterbium perfluorooctanoate [Yb(PFO)3]
  作者：Jun Tang、Limin Wang、Yinfang Yao、Liang Zhang、Wenbo Wang

  DOI：10.1016/j.tetlet.2010.11.102

  日期：2011.1

  A family of 2-amino-3-cyanopyridine derivatives are synthesized from aldehydes, ketones, malononitrile, and ammonium acetate via one-pot reaction catalyzed by ytterbium perfluorooctanoate [Yb(PFO)(3)]. This procedure tolerates most of substrates and has the advantages of short routine, high yields, and environmentally friendly. Furthermore, the possible mechanism is also proposed. (C) 2010 Elsevier Ltd. All rights reserved.
• A concise and versatile synthesis of 2-amino-3-cyanopyridine derivatives in 2,2,2-trifluoroethanol
  作者：Samad Khaksar、Mandana Yaghoobi

  DOI：10.1016/j.jfluchem.2012.06.009

  日期：2012.10

  Trifluoroethanol (TFE) is found to be an efficient and recyclable medium in promoting one-pot, four-component coupling reactions of aldehydes, ketones, malononitrile, and ammonium acetate to afford the corresponding 2-amino-3-cyanopyridine derivatives in high yields. The solvent (TFE) can be readily separated from reaction products and recovered in excellent purity for direct reuse. (C) 2012 Elsevier B.V. All rights reserved.
• Yelwande, Ajeet A.; Navgire, Madhukar E.; Tayde, Deepak T., South African Journal of Chemistry, 2012, vol. 65, p. 131 - 137
  作者：Yelwande, Ajeet A.、Navgire, Madhukar E.、Tayde, Deepak T.、Arbad, Balasaheb R.、Lande, MacHhindra K.

  DOI：——

  日期：——
• KATOH, AKIRA;OMOTE, YOSHIMORI;KASHIMA, CHOJI, CHEM. AND PHARM. BULL., 1984, 32, N 8, 2942-2946
  作者：KATOH, AKIRA、OMOTE, YOSHIMORI、KASHIMA, CHOJI

  DOI：——

  日期：——
• Katoh, Akira; Omote, Yoshimori; Kashima, Choji, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 8, p. 2942 - 2946
  作者：Katoh, Akira、Omote, Yoshimori、Kashima, Choji

  DOI：——

  日期：——