5-chloro-2-methyl-s-triazolo<1,5-c>pyrimidine | 76044-37-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 5-chloro-2-methyl-s-triazolo<1,5-c>pyrimidine
• 英文别名: 5-chloro-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
• CAS: 76044-37-6
• 化学式: C₆H₅ClN₄
• 分子量: 168.585
• InChiKey: CCSKHIYVLRCCNX-UHFFFAOYSA-N

物化性质

• 熔点：
  103-104 °C
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-chloro-2-methyl-s-triazolo<1,5-c>pyrimidine 在 盐酸羟胺 、 氨 作用下， 以 甲醇 为溶剂， 反应 24.58h， 生成 N-hydroxy-N'-(2-methyl-s-triazolo<1,5-c>pyrimidin-5-yl)formamidine
  参考文献：
  名称：

  Brown, Desmond J.; Shinozuka, Kazuo, Australian Journal of Chemistry, 1980, vol. 33, # 5, p. 1147 - 1152

  摘要：

  DOI：
• 作为产物：
  描述：

  2-methyl-s-triazolo<1,5-c>-pyrimidin-5(6H)-one 在 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以200 mg的产率得到5-chloro-2-methyl-s-triazolo<1,5-c>pyrimidine
  参考文献：
  名称：

  [EN] FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  [FR] DÉRIVÉS D'HÉTÉROARYLES FUSIONNÉS EN TANT QU'ANTAGONISTES DES RÉCEPTEURS DES ORÉXINES

  摘要：

  提供了与异杂环衍生物化合物，这些化合物是促进睡眠的受体拮抗剂。这些化合物可用于潜在治疗或预防涉及促进睡眠的受体的神经和精神疾病。还提供了一种包含该化合物的组合物，可用于预防或治疗涉及促进睡眠的受体的这类疾病。

  公开号：

  WO2016101119A1

文献信息

• BROWN D. J.; SHINOZUKA KAZUO, AUSTRAL. J. CHEM., 1980, 33, NO 5, 1147-1152
  作者：BROWN D. J.、 SHINOZUKA KAZUO

  DOI：——

  日期：——
• FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20180370973A1

  公开（公告）日：2018-12-27

  The present invention is directed to fused heteroaryl derivative compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.
• [EN] FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'HÉTÉROARYLE FUSIONNÉS UTILISÉS COMME ANTAGONISTES DE RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016106106A2

  公开（公告）日：2016-06-30

  The present invention is directed to fused heteroaryl derivative compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.