4-(2-Methylphenyl)-2-nitroaniline | 1365108-67-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2-Methylphenyl)-2-nitroaniline
• CAS: 1365108-67-3
• 化学式: C₁₃H₁₂N₂O₂
• 分子量: 228.25
• InChiKey: RYHJSUNAMVMFAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 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：
  71.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-Methylphenyl)-2-nitroaniline 、 3-cyclohexyl-acryloyl chloride 在 铁粉 、 sodium hydride 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 2-(2-cyclohexylvinyl)-5-o-tolyl-1H-benzimidazole
  参考文献：
  名称：

  Discovery of vinylcycloalkyl-substituted benzimidazole TRPM8 antagonists effective in the treatment of cold allodynia

  摘要：

  Thermosensitive transient receptor potential melastatin 8 (TRPM8) antagonists are considered to be potential therapeutic agents for the treatment of cold hypersensitivity. The discovery of a new class of TRPM8 antagonists that shows in vivo efficacy in the rat chronic constriction injury (CCI)-induced model of neuropathic pain is described. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.060
• 作为产物：
  描述：

  4-氨基-3-硝基苯硼酸频那醇酯 、 alkaline earth salt of/the/ methylsulfuric acid 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium carbonate 作用下， 以 乙二醇二甲醚 为溶剂， 生成 4-(2-Methylphenyl)-2-nitroaniline
  参考文献：
  名称：

  Discovery of vinylcycloalkyl-substituted benzimidazole TRPM8 antagonists effective in the treatment of cold allodynia

  摘要：

  Thermosensitive transient receptor potential melastatin 8 (TRPM8) antagonists are considered to be potential therapeutic agents for the treatment of cold hypersensitivity. The discovery of a new class of TRPM8 antagonists that shows in vivo efficacy in the rat chronic constriction injury (CCI)-induced model of neuropathic pain is described. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.060

文献信息

• Discovery of vinylcycloalkyl-substituted benzimidazole TRPM8 antagonists effective in the treatment of cold allodynia
  作者：Raul R. Calvo、Sanath K. Meegalla、Daniel J. Parks、William H. Parsons、Shelley K. Ballentine、Mary Lou Lubin、Craig Schneider、Raymond W. Colburn、Christopher M. Flores、Mark R. Player

  DOI：10.1016/j.bmcl.2012.01.060

  日期：2012.3

  Thermosensitive transient receptor potential melastatin 8 (TRPM8) antagonists are considered to be potential therapeutic agents for the treatment of cold hypersensitivity. The discovery of a new class of TRPM8 antagonists that shows in vivo efficacy in the rat chronic constriction injury (CCI)-induced model of neuropathic pain is described. (c) 2012 Elsevier Ltd. All rights reserved.