6-Bromo-2-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione | 867060-68-2

• 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: 6-Bromo-2-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione
• CAS: 867060-68-2
• 化学式: C₁₁H₆BrF₄N₃O₂
• 分子量: 368.085
• InChiKey: AAEFNIJEWPPCET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  61.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-Bromo-2-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione 在 barium dihydroxide 、 四(三苯基膦)钯 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 乙醇 、 苯 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Synthesis of aryl-1,2,4-triazine-3,5-diones as antagonists of the gonadotropin-releasing hormone receptor

  摘要：

  Several efficient synthetic routes for 2-, 4-, and 6-aryl-1,2,4-triazine-3,5-diones were developed. Derivatives were synthesized and studied as gonadotropin-releasing hormone antagonists in an effort to understand structure-activity relationships of the monocyclic compounds. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.057
• 作为产物：
  描述：

  5-溴-6-氮尿嘧啶 、 2-氟-6-(三氟甲基)溴苄 在 N,O-双三甲硅基乙酰胺 作用下， 以 乙腈 为溶剂， 反应 18.0h， 以88%的产率得到6-Bromo-2-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione
  参考文献：
  名称：

  Synthesis of aryl-1,2,4-triazine-3,5-diones as antagonists of the gonadotropin-releasing hormone receptor

  摘要：

  Several efficient synthetic routes for 2-, 4-, and 6-aryl-1,2,4-triazine-3,5-diones were developed. Derivatives were synthesized and studied as gonadotropin-releasing hormone antagonists in an effort to understand structure-activity relationships of the monocyclic compounds. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.057

文献信息

• Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same
  申请人：Kim Seon Mi

  公开号：US20130137661A1

  公开（公告）日：2013-05-30

  Disclosed are compounds useful as gonadotrophin-releasing hormone (“GnRH”) receptor antagonist.

  披露了作为促性腺激素释放激素（“GnRH”）受体拮抗剂有用的化合物。
• GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME
  申请人：Sk Chemicals Co., Ltd.

  公开号：EP2390250B1

  公开（公告）日：2015-08-12
• US9034850B2
  申请人：——

  公开号：US9034850B2

  公开（公告）日：2015-05-19
• Synthesis of aryl-1,2,4-triazine-3,5-diones as antagonists of the gonadotropin-releasing hormone receptor
  作者：Joseph Pontillo、Zhiqiang Guo、Dongpei Wu、R. Scott Struthers、Chen Chen

  DOI：10.1016/j.bmcl.2005.06.057

  日期：2005.10

  Several efficient synthetic routes for 2-, 4-, and 6-aryl-1,2,4-triazine-3,5-diones were developed. Derivatives were synthesized and studied as gonadotropin-releasing hormone antagonists in an effort to understand structure-activity relationships of the monocyclic compounds. (c) 2005 Elsevier Ltd. All rights reserved.