7-Chloro-3-phenyl-3H-thiazolo[4,5-d]pyrimidine-2-thione | 189766-33-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 7-Chloro-3-phenyl-3H-thiazolo[4,5-d]pyrimidine-2-thione
• 英文别名: 7-Chloro-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione；7-chloro-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
• CAS: 189766-33-4
• 化学式: C₁₁H₆ClN₃S₂
• 分子量: 279.774
• InChiKey: FQYRZHWDMVRYHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-Chloro-3-phenyl-3H-thiazolo[4,5-d]pyrimidine-2-thione 在 sodium azide 、 sodium dithionite 作用下， 以 乙醇 、 水 、 丙酮 为溶剂， 反应 3.0h， 生成 7-amino-3-phenylthiazolo[4,5-d]pyrimidin-2(3H)-thione
  参考文献：
  名称：

  Condensed thiazoles, II: Synthesis of 7-substituted thiazolo[4,5-d]pyrimidines as possible anti-HIV, anticancer, and antimicrobial agents

  摘要：

  Some 3-substituted 2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-ones (2a, b; 4) have been synthesized and converted to their 7-chloro (3, 5), 7-diethanolamino (6a,b), 7-bis(2-chloroethyl)amino (7), 7-azido (8), 7-amino (9), 7-hydrazino (10), 7-mercapto (11a, b), and 7-methylthio (12) derivatives. These compounds were evaluated for their in vitro antimicrobial, anti-HIV, and anticancer activities.

  DOI：

  10.1007/bf00844697
• 作为产物：
  描述：

  7-Oxo-3-phenylthiazolo<4,5-d>pyrimidin-2-thion 在 五氯化磷 作用下， 以 三氯氧磷 为溶剂， 反应 5.0h， 以70%的产率得到7-Chloro-3-phenyl-3H-thiazolo[4,5-d]pyrimidine-2-thione
  参考文献：
  名称：

  Condensed thiazoles, II: Synthesis of 7-substituted thiazolo[4,5-d]pyrimidines as possible anti-HIV, anticancer, and antimicrobial agents

  摘要：

  Some 3-substituted 2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-ones (2a, b; 4) have been synthesized and converted to their 7-chloro (3, 5), 7-diethanolamino (6a,b), 7-bis(2-chloroethyl)amino (7), 7-azido (8), 7-amino (9), 7-hydrazino (10), 7-mercapto (11a, b), and 7-methylthio (12) derivatives. These compounds were evaluated for their in vitro antimicrobial, anti-HIV, and anticancer activities.

  DOI：

  10.1007/bf00844697

文献信息

• Condensed thiazoles, II: Synthesis of 7-substituted thiazolo[4,5-d]pyrimidines as possible anti-HIV, anticancer, and antimicrobial agents
  作者：N. S. Habib、S. M. Rida、E. A. M. Badawey、H. T. Y. Fahmy

  DOI：10.1007/bf00844697

  日期：1996.11

  Some 3-substituted 2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-ones (2a, b; 4) have been synthesized and converted to their 7-chloro (3, 5), 7-diethanolamino (6a,b), 7-bis(2-chloroethyl)amino (7), 7-azido (8), 7-amino (9), 7-hydrazino (10), 7-mercapto (11a, b), and 7-methylthio (12) derivatives. These compounds were evaluated for their in vitro antimicrobial, anti-HIV, and anticancer activities.