6-Ethylsulfanyl-4-methyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 6-Ethylsulfanyl-4-methyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene
• 化学式: C₁₄H₁₂N₄S₂
• 分子量: 300.408
• InChiKey: YCGGIQJFQUBNCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  96.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-chloro-2-methylpyrimidino[4',5':4,5]thiazolo[3,2-a]benzimidazole 在 氢氧化钾 、 硫脲 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 6-Ethylsulfanyl-4-methyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene
  参考文献：
  名称：

  Synthesis and reactions of new 4-chloro-2-methylpyrimidino[4′,5′:4,5]thiazolo[3,2-a]-benzimidazoles

  摘要：

  4-Chloro-2-methylpyrimidino [4',5':4,5]thiazolo[3,2-a]benzimidazole (3) was prepared by chlorination of 2 which could also be converted directly to 2-methylpyrimidino [4',5':4,5]- thiazolo[3,2-a] benzimidazol-4-thiol (4). Nucleophilic substitution of 3 with alcohols, phenols, primary amines, secondary amines, sodium azide, and mercaptoacetic acid gave the corresponding derivatives. The thiol derivative 4 was reacted with alkyl/aralkyl halides, phenacyl bromide derivatives, bromoacetone, chloroanilides, bromomalonic ester, and ethyl bromoacetate to afford compounds of potential pharmacological interest.

  DOI：

  10.1007/bf00807563

文献信息

• Synthesis and reactions of new 4-chloro-2-methylpyrimidino[4′,5′:4,5]thiazolo[3,2-a]-benzimidazoles
  作者：A. A. O. Sarhan、Z. A. Hozien、A. M. Mahmoud、H. A. H. El-Sherief

  DOI：10.1007/bf00807563

  日期：1997.11

  4-Chloro-2-methylpyrimidino [4',5':4,5]thiazolo[3,2-a]benzimidazole (3) was prepared by chlorination of 2 which could also be converted directly to 2-methylpyrimidino [4',5':4,5]- thiazolo[3,2-a] benzimidazol-4-thiol (4). Nucleophilic substitution of 3 with alcohols, phenols, primary amines, secondary amines, sodium azide, and mercaptoacetic acid gave the corresponding derivatives. The thiol derivative 4 was reacted with alkyl/aralkyl halides, phenacyl bromide derivatives, bromoacetone, chloroanilides, bromomalonic ester, and ethyl bromoacetate to afford compounds of potential pharmacological interest.