2-cyanomethyl-8,9,10,11-tetrahydrobenzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

• 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: 2-cyanomethyl-8,9,10,11-tetrahydrobenzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
• 英文别名: 2-(10-Thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)acetonitrile
• 化学式: C₁₃H₁₁N₅S
• 分子量: 269.33
• InChiKey: ZEOWMDRKGZFJLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  95.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-cyanomethyl-8,9,10,11-tetrahydrobenzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine 、 1,3-二苯-1H-吡唑-4-甲醛 在 哌啶 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 以55%的产率得到2-cyano((1,3-diphenyl-1H-pyrazol-4-yl)methylene)methyl-8,9,10,11-tetrahydrobenzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
  参考文献：
  名称：

  Design, Synthesis, and Antimicrobial Evaluation of Novel Thienopyrimidines and Triazolothienopyrimidines

  摘要：

  2-Cyanoacetohydrazide and 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene derivatives were exploited as starting materials for the syntheses of novel thienopyrimidines and triazolothienopyrimidines. The proclivity of these compounds toward one-carbon donor reagents such as carbon disulfide, phenyl isothiocyanate, and aromatic aldehydes was investigated. The structures of all synthesized compounds were ascertained by spectral and analytical data. The antimicrobial activity of the target synthesized compounds was tested against various microorganisms.

  DOI：

  10.1080/00397911.2014.999340
• 作为产物：
  描述：

  2-氨基-3-腈基-4,5,6,7--四氢苯并[B]噻吩 以 1,4-二氧六环 、 乙酸酐 为溶剂， 反应 12.0h， 生成 2-cyanomethyl-8,9,10,11-tetrahydrobenzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
  参考文献：
  名称：

  Design, Synthesis, and Antimicrobial Evaluation of Novel Thienopyrimidines and Triazolothienopyrimidines

  摘要：

  2-Cyanoacetohydrazide and 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene derivatives were exploited as starting materials for the syntheses of novel thienopyrimidines and triazolothienopyrimidines. The proclivity of these compounds toward one-carbon donor reagents such as carbon disulfide, phenyl isothiocyanate, and aromatic aldehydes was investigated. The structures of all synthesized compounds were ascertained by spectral and analytical data. The antimicrobial activity of the target synthesized compounds was tested against various microorganisms.

  DOI：

  10.1080/00397911.2014.999340

文献信息

• Design, Synthesis, and Antimicrobial Evaluation of Novel Thienopyrimidines and Triazolothienopyrimidines
  作者：Mahmoud R. Mahmoud、Fatma S. M. Abu El-Azm、Amira T. Ali、Yasmeen M. Ali

  DOI：10.1080/00397911.2014.999340

  日期：2015.4.18

  2-Cyanoacetohydrazide and 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene derivatives were exploited as starting materials for the syntheses of novel thienopyrimidines and triazolothienopyrimidines. The proclivity of these compounds toward one-carbon donor reagents such as carbon disulfide, phenyl isothiocyanate, and aromatic aldehydes was investigated. The structures of all synthesized compounds were ascertained by spectral and analytical data. The antimicrobial activity of the target synthesized compounds was tested against various microorganisms.