2-ethtylthio-3,4,5,6,7,8-hexahydroquinazolin-4-one | 1133-85-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-ethtylthio-3,4,5,6,7,8-hexahydroquinazolin-4-one
• 英文别名: 2-(Ethylsulfanyl)-3,4,5,6,7,8-hexahydroquinazolin-4-one；2-ethylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
• CAS: 1133-85-3
• 化学式: C₁₀H₁₄N₂OS
• 分子量: 210.3
• InChiKey: AFSOCUPYECWWOK-UHFFFAOYSA-N

物化性质

• 熔点：
  186-188 °C
• 沸点：
  352.9±25.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-ethtylthio-3,4,5,6,7,8-hexahydroquinazolin-4-one 在 盐酸 、 溶剂黄146 作用下， 反应 2.0h， 以71%的产率得到5,6,7,8-四氢喹唑啉-2,4(1H,3H)-二酮
  参考文献：
  名称：

  Synthesis and Antiviral Study of Cyclopentano [d] Pyrimidine-2,4-diones and Octahydroquinazoline-2,4-diones Acyclic Nucleosides as Potential Anti-HIV Agents

  摘要：

  The Vorbruggen and Niedballa's method((1)) afforded new cycropentano [d] pyrimidine-2,4-dione and octahydroquinazoline-2,4-dione nucleosides. Various modifications of these new derivatives enabled us to obtain HEPT related compounds which were tested against Human Immunodeficiency Virus-1 (HIV-1). Unfortunately, none of these compounds showed significant antiviral activity.

  DOI：

  10.1080/15257779408011863
• 作为产物：
  描述：

  S-乙基异硫脲氢溴酸盐 、 2-环己酮甲酸乙酯 在 sodium carbonate 作用下， 反应 18.0h， 以85%的产率得到2-ethtylthio-3,4,5,6,7,8-hexahydroquinazolin-4-one
  参考文献：
  名称：

  Synthesis and Antiviral Study of Cyclopentano [d] Pyrimidine-2,4-diones and Octahydroquinazoline-2,4-diones Acyclic Nucleosides as Potential Anti-HIV Agents

  摘要：

  The Vorbruggen and Niedballa's method((1)) afforded new cycropentano [d] pyrimidine-2,4-dione and octahydroquinazoline-2,4-dione nucleosides. Various modifications of these new derivatives enabled us to obtain HEPT related compounds which were tested against Human Immunodeficiency Virus-1 (HIV-1). Unfortunately, none of these compounds showed significant antiviral activity.

  DOI：

  10.1080/15257779408011863

文献信息

• PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES
  申请人：ELI LILLY AND COMPANY

  公开号：EP1230225A2

  公开（公告）日：2002-08-14
• [EN] PHARMACEUTICAL COMPOUNDS<br/>[FR] COMPOSES PHARMACEUTIQUES
  申请人：LILLY CO ELI

  公开号：WO2001032632A2

  公开（公告）日：2001-05-10

  The present invention relates to the use of certain 4-substituted pyrimidine derivatives as mGluR1 antagonists, to novel 4-substituted pyrimidine derivatives, to pharmaceutical formulations comprising 4-substituted pyrimidine derivatives, to a process for preparing 4-substituted pyrimidine derivatives and to intermediates useful in the preparation of 4-substituted pyrimidine derivatives.