2-o-Tolylamino-6-trifluoromethyl-nicotinonitrile | 741265-09-8

• 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-o-Tolylamino-6-trifluoromethyl-nicotinonitrile
• 英文别名: 2-[(2-Methylphenyl)amino]-6-(trifluoromethyl)-3-pyridinecarbonitrile；2-(2-methylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
• CAS: 741265-09-8
• 化学式: C₁₄H₁₀F₃N₃
• 分子量: 277.249
• InChiKey: PLPKAWFIYSADBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  48.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-o-Tolylamino-6-trifluoromethyl-nicotinonitrile 在 硫酸 作用下， 以 水 为溶剂， 反应 6.0h， 以88%的产率得到2-o-Tolylamino-6-trifluoromethyl-nicotinic acid
  参考文献：
  名称：

  Synthesis of new 2-arylamino-6-trifluoromethylpyridine-3-carboxylic acid derivatives and investigation of their analgesic activity

  摘要：

  A new series of 2-arylamino-6-trifluoromethyl-3-carboxylic acid derivatives was synthesized and assayed in vivo for their analgesic properties by means of writhing test in rats. When compared to aspirin, ibuprofen and flufenamic acid some of the new compounds exhibited a comparable or improved analgesic activity and a lower ulcerogenic effect. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.05.025
• 作为产物：
  描述：

  邻甲苯胺 以 乙腈 为溶剂， 反应 102.0h， 生成 2-o-Tolylamino-6-trifluoromethyl-nicotinonitrile
  参考文献：
  名称：

  Synthesis of new 2-arylamino-6-trifluoromethylpyridine-3-carboxylic acid derivatives and investigation of their analgesic activity

  摘要：

  A new series of 2-arylamino-6-trifluoromethyl-3-carboxylic acid derivatives was synthesized and assayed in vivo for their analgesic properties by means of writhing test in rats. When compared to aspirin, ibuprofen and flufenamic acid some of the new compounds exhibited a comparable or improved analgesic activity and a lower ulcerogenic effect. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.05.025

文献信息

• Synthesis of new 2-arylamino-6-trifluoromethylpyridine-3-carboxylic acid derivatives and investigation of their analgesic activity
  作者：Maria T. Cocco、Cenzo Congiu、Valentina Onnis、Micaela Morelli、Vicente Felipo、Omar Cauli

  DOI：10.1016/j.bmc.2004.05.025

  日期：2004.8.1

  A new series of 2-arylamino-6-trifluoromethyl-3-carboxylic acid derivatives was synthesized and assayed in vivo for their analgesic properties by means of writhing test in rats. When compared to aspirin, ibuprofen and flufenamic acid some of the new compounds exhibited a comparable or improved analgesic activity and a lower ulcerogenic effect. (C) 2004 Elsevier Ltd. All rights reserved.