2-Chloromethyl-4-phenyl-nicotinonitrile | 817555-70-7

• 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-Chloromethyl-4-phenyl-nicotinonitrile
• 英文别名: 2-(Chloromethyl)-4-phenylnicotinonitrile；2-(chloromethyl)-4-phenylpyridine-3-carbonitrile
• CAS: 817555-70-7
• 化学式: C₁₃H₉ClN₂
• 分子量: 228.681
• InChiKey: MZYNQMASANZKCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Chloromethyl-4-phenyl-nicotinonitrile 在 sodium azide 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 以96%的产率得到2-azidomethyl-3-cyanopyridine
  参考文献：
  名称：

  Synthesis of a new tricyclic 3-(tetrazol-5-yl)pyridine system from 2-(azidomethyl)nicotinonitriles

  摘要：

  2-Methyl-3-cyanopyridines were converted into the corresponding 2-azidomethyl derivatives, which then underwent an intramolecular cycloaddition reaction. A novel heterocyclic system containing a 3-(tetrazol-5-yl)pyridine unit was obtained in this way. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.10.016
• 作为产物：
  描述：

  2-Hydroxymethyl-4-phenyl-nicotinonitrile 在 甲基磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 13.0h， 以100%的产率得到2-Chloromethyl-4-phenyl-nicotinonitrile
  参考文献：
  名称：

  Synthesis of a new tricyclic 3-(tetrazol-5-yl)pyridine system from 2-(azidomethyl)nicotinonitriles

  摘要：

  2-Methyl-3-cyanopyridines were converted into the corresponding 2-azidomethyl derivatives, which then underwent an intramolecular cycloaddition reaction. A novel heterocyclic system containing a 3-(tetrazol-5-yl)pyridine unit was obtained in this way. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.10.016

文献信息

• Synthesis of a new tricyclic 3-(tetrazol-5-yl)pyridine system from 2-(azidomethyl)nicotinonitriles
  作者：Igor V. Bliznets、Sergey V. Shorshnev、Grigory G. Aleksandrov、Aleksandr E. Stepanov、Sergey M. Lukyanov

  DOI：10.1016/j.tetlet.2004.10.016

  日期：2004.11

  2-Methyl-3-cyanopyridines were converted into the corresponding 2-azidomethyl derivatives, which then underwent an intramolecular cycloaddition reaction. A novel heterocyclic system containing a 3-(tetrazol-5-yl)pyridine unit was obtained in this way. (C) 2004 Elsevier Ltd. All rights reserved.