2,4-dichloro-N-[(dimethylamino)methylene]benzamide | 65675-97-0

• 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: 2,4-dichloro-N-[(dimethylamino)methylene]benzamide
• 英文别名: Benzamide, 2,4-dichloro-N-[(dimethylamino)methylene]-；2,4-dichloro-N-(dimethylaminomethylidene)benzamide
• CAS: 65675-97-0
• 化学式: C₁₀H₁₀Cl₂N₂O
• 分子量: 245.108
• InChiKey: KLFQYBMJYLKMAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  苄脒盐酸盐 、 2,4-dichloro-N-[(dimethylamino)methylene]benzamide 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以87%的产率得到2-(2,4-dichlorophenyl)-4-phenyl-1,3,5-triazine
  参考文献：
  名称：

  A Convenient Synthetic Method for Trisubstituted s-Triazines

  摘要：

  DOI：

  10.1021/jo00131a023
• 作为产物：
  描述：

  2,4-二氯苯甲酰胺 、 N,N-二甲基甲酰胺二甲基缩醛 反应 2.0h， 以96%的产率得到2,4-dichloro-N-[(dimethylamino)methylene]benzamide
  参考文献：
  名称：

  Novel derivatives of 3-alkyl-1,5-diaryl-1H-1,2,4-triazoles and their pharmacological evaluation as CB1 cannabinoid ligands

  摘要：

  In a previous study, we have identified 3-alkyl-1,5-diaryl-1H-1,2,4-triazoles to be a novel class of cannabinoid type-1 (CB1) receptor antagonists. However, the synthesis yields for the ligands were low. Here we present an alternative synthesis pathway with improved yields. In addition, we have synthezised new structural derivatives and studied their results in competitive radioligand binding assays for cannabinoid receptors.

  DOI：

  10.1007/s00706-008-0890-8

文献信息

• A Convenient Synthetic Method for Trisubstituted s-Triazines
  作者：Chen Chen、Raymond Dagnino、James R. McCarthy

  DOI：10.1021/jo00131a023

  日期：1995.12
• Novel derivatives of 3-alkyl-1,5-diaryl-1H-1,2,4-triazoles and their pharmacological evaluation as CB1 cannabinoid ligands
  作者：Laura Hernandez-Folgado、Pilar Goya、Jordi Frigola、María Rosa Cuberes、Alberto Dordal、Jörg Holenz、Nadine Jagerovic

  DOI：10.1007/s00706-008-0890-8

  日期：2008.9

  In a previous study, we have identified 3-alkyl-1,5-diaryl-1H-1,2,4-triazoles to be a novel class of cannabinoid type-1 (CB1) receptor antagonists. However, the synthesis yields for the ligands were low. Here we present an alternative synthesis pathway with improved yields. In addition, we have synthezised new structural derivatives and studied their results in competitive radioligand binding assays for cannabinoid receptors.