2-甲氧基-N-(1,3-二苯基-1H-吡唑-5-基)苯甲酰胺 | 79442-81-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-甲氧基-N-(1,3-二苯基-1H-吡唑-5-基)苯甲酰胺
• 英文名称: 2-methoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
• 英文别名: N-(1,3-diphenyl-1H-pyrazol-5-yl)-2-methoxybenzamide；N-(2,5-diphenylpyrazol-3-yl)-2-methoxybenzamide
• CAS: 79442-81-2
• 化学式: C₂₃H₁₉N₃O₂
• mdl: MFCD27157531
• 分子量: 369.423
• InChiKey: AGGJIVGNMZZNOC-UHFFFAOYSA-N

物化性质

• 熔点：
  196-198 °C
• 沸点：
  512.4±45.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  56.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲氧基-N-(1,3-二苯基-1H-吡唑-5-基)苯甲酰胺 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 5-氨基-1,3-二苯基哌唑 、 邻甲氧基苯甲酸
  参考文献：
  名称：

  Daidone, Giuseppe; Plescia, Salvatore, Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 747 - 750

  摘要：

  DOI：
• 作为产物：
  描述：

  5-氨基-1,3-二苯基哌唑 、 甲氧基苯甲酰氯 以 二氯甲烷 为溶剂， 以90%的产率得到2-甲氧基-N-(1,3-二苯基-1H-吡唑-5-基)苯甲酰胺
  参考文献：
  名称：

  An efficient one-pot synthesis of N-(1,3-diphenyl-1H-pyrazol- 5-yl)amides

  摘要：

  Abstractmagnified image A “one‐pot” method for the synthesis of N‐(1,3‐diphenyl‐1H‐pyrazol‐5‐yl)amides was developed by cyclization of benzoylacetonitrile (1) and phenylhydrazine in neat condition followed by acylation. The corresponding N‐(1,3‐diphenyl‐1H‐pyrazol‐5‐yl)amides were provided in good to excellent yields (70–90%). The significant advantages of the new synthetic method are excellent yields and simple work‐up procedure without isolation and purification of intermediary 5‐amino‐1,3‐diphenyl pyrazol (2). J. Heterocyclic Chem., (2010).

  DOI：

  10.1002/jhet.343

文献信息

• Pyrazole modulators of metabotropic glutamate receptors
  申请人：Lindsley W. Craig

  公开号：US20060281803A1

  公开（公告）日：2006-12-14

  The present invention is directed to compounds which are allosteric modulators of metabotropic glutamate receptors, including the mGluR5 receptor, and which are useful in the treatment of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及化合物，它们是代谢性谷氨酸受体的别构调节剂，包括mGluR5受体，并且在治疗与谷氨酸功能障碍和代谢性谷氨酸受体相关的神经和精神障碍以及相关疾病方面有用。该发明还涉及包含这些化合物的制药组合物以及在预防或治疗代谢性谷氨酸受体相关疾病方面使用这些化合物和组合物。
• DAIDONE, G.;PLESCIA, S., J. HETEROCYCL. CHEM., 1981, 18, N 4, 747-750
  作者：DAIDONE, G.、PLESCIA, S.

  DOI：——

  日期：——
• [EN] PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS<br/>[FR] MODULATEURS PYRAZOLE DE RECEPTEURS DE GLUTAMATE METABOTROPIQUES
  申请人：MERCK & CO INC

  公开号：WO2005030128A2

  公开（公告）日：2005-04-07

  The present invention is directed to compounds which are allosteric modulators of metabotropic glutamate receptors, including the mGluR5 receptor, and which are useful in the treatment of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.