(E)-2-(benzo[d]thiazol-2-yl)-3-(2-methoxynaphthalen-1-yl)acrylonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (E)-2-(benzo[d]thiazol-2-yl)-3-(2-methoxynaphthalen-1-yl)acrylonitrile
• 英文别名: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
• 化学式: C₂₁H₁₄N₂OS
• 分子量: 342.421
• InChiKey: RAJHTVORRHMAIX-NTCAYCPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  74.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-2-(benzo[d]thiazol-2-yl)-3-(2-methoxynaphthalen-1-yl)acrylonitrile 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以71%的产率得到4-(benzo[d]thiazol-2-yl)-3-(2-methoxynaphthalen-1-yl)isoxazol-5-amine
  参考文献：
  名称：

  Synthesis, Characterization and Cytotoxicity Evaluation of Some Novel Pyrazole, Pyrimidine and Isoxazoloe Drivatives Containing Benzothiazole Moiety

  摘要：

  The 2-(2-benzothiazolyl)-3-(2-methoxy-1-naphthyl)acrylonitrile (3) was used as precursor for the synthesis of some novel pyrazole, isoxazole, pyrimidine derivatives and other related products containing benzothiazole moiety via the reaction of compound 3 with appropriate chemical reagents. The structures of the newly synthesized products were confirmed by elemental analyses, IR, H-1-NMR, C-13-NMR and mass spectral data. These compounds were screened for their antitumor activities. Compound 7 displayed promising in vitro antitumor activity in the four cell lines assay.

  DOI：

  10.3987/com-16-13483
• 作为产物：
  描述：

  苯并噻唑-2-乙腈 、 2-甲氧基-1-萘醛 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以92%的产率得到(E)-2-(benzo[d]thiazol-2-yl)-3-(2-methoxynaphthalen-1-yl)acrylonitrile
  参考文献：
  名称：

  Synthesis, Characterization and Cytotoxicity Evaluation of Some Novel Pyrazole, Pyrimidine and Isoxazoloe Drivatives Containing Benzothiazole Moiety

  摘要：

  The 2-(2-benzothiazolyl)-3-(2-methoxy-1-naphthyl)acrylonitrile (3) was used as precursor for the synthesis of some novel pyrazole, isoxazole, pyrimidine derivatives and other related products containing benzothiazole moiety via the reaction of compound 3 with appropriate chemical reagents. The structures of the newly synthesized products were confirmed by elemental analyses, IR, H-1-NMR, C-13-NMR and mass spectral data. These compounds were screened for their antitumor activities. Compound 7 displayed promising in vitro antitumor activity in the four cell lines assay.

  DOI：

  10.3987/com-16-13483

文献信息

• Synthesis, Characterization and Cytotoxicity Evaluation of Some Novel Pyrazole, Pyrimidine and Isoxazoloe Drivatives Containing Benzothiazole Moiety
  作者：Khaled. S. Mohamed、Hala M. Refat、Nada A. H. Mohamed

  DOI：10.3987/com-16-13483

  日期：——

  The 2-(2-benzothiazolyl)-3-(2-methoxy-1-naphthyl)acrylonitrile (3) was used as precursor for the synthesis of some novel pyrazole, isoxazole, pyrimidine derivatives and other related products containing benzothiazole moiety via the reaction of compound 3 with appropriate chemical reagents. The structures of the newly synthesized products were confirmed by elemental analyses, IR, H-1-NMR, C-13-NMR and mass spectral data. These compounds were screened for their antitumor activities. Compound 7 displayed promising in vitro antitumor activity in the four cell lines assay.