2-chloro-4-isopropylamino-6-((3-phenyl-1,2-oxazol-5-yl)methylamino)-1,3,5-triazine | 1342304-71-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2-chloro-4-isopropylamino-6-((3-phenyl-1,2-oxazol-5-yl)methylamino)-1,3,5-triazine
• 英文别名: 6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
• CAS: 1342304-71-5
• 化学式: C₁₆H₁₇ClN₆O
• 分子量: 344.804
• InChiKey: RXNFIVUBJFRRIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  88.8
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-chloro-4-isopropylamino-6-((3-phenyl-1,2-oxazol-5-yl)methylamino)-1,3,5-triazine 、 sodium thiomethoxide 以 四氢呋喃 、 水 为溶剂， 以77.6%的产率得到2-isopropylamino-4-((3-phenyl-1,2-oxazol-5-yl)methylamino)-6-methylthio-1,3,5-triazine
  参考文献：
  名称：

  Design, Synthesis, and Biological Activities of Arylmethylamine Substituted Chlorotriazine and Methylthiotriazine Compounds

  摘要：

  Heterocyclic rings were introduced into the core structure of s-triazine to design and synthesize a series of novel triazines containing arylmethylamino moieties These compounds were characterized by using spectroscopic methods and elemental analysis Their herbicidal, insecticidal, fungicidal, and antitumor activities were evaluated Most Of these compounds exhibited good herbicidal activity, especially against the dicotyledonous weeds, and compound F8 was almost at the same level as the control compound atrazine Their structure activity relationships were discussed At the same tune, some triazines had interesting fungicidal and insecticidal activities, of which F4 exhibited 100% efficacy against Puccinia triticina even at 20 ppm, and F5 showed Lepidopteran-specific activity in both leaf-piece and artificial diet assays, Moreover, these compounds showed antitumor activities against leukemia HL-60 Cell line and lung adenocarcinoma A-549 cell line

  DOI：

  10.1021/jf203383s
• 作为产物：
  描述：

  2,4-二氯-6-异丙基氨基-1,3,5-三嗪 、 3-苯基异恶唑-5-基甲胺 在 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 以80.8%的产率得到2-chloro-4-isopropylamino-6-((3-phenyl-1,2-oxazol-5-yl)methylamino)-1,3,5-triazine
  参考文献：
  名称：

  Design, Synthesis, and Biological Activities of Arylmethylamine Substituted Chlorotriazine and Methylthiotriazine Compounds

  摘要：

  Heterocyclic rings were introduced into the core structure of s-triazine to design and synthesize a series of novel triazines containing arylmethylamino moieties These compounds were characterized by using spectroscopic methods and elemental analysis Their herbicidal, insecticidal, fungicidal, and antitumor activities were evaluated Most Of these compounds exhibited good herbicidal activity, especially against the dicotyledonous weeds, and compound F8 was almost at the same level as the control compound atrazine Their structure activity relationships were discussed At the same tune, some triazines had interesting fungicidal and insecticidal activities, of which F4 exhibited 100% efficacy against Puccinia triticina even at 20 ppm, and F5 showed Lepidopteran-specific activity in both leaf-piece and artificial diet assays, Moreover, these compounds showed antitumor activities against leukemia HL-60 Cell line and lung adenocarcinoma A-549 cell line

  DOI：

  10.1021/jf203383s

文献信息

• Design, Synthesis, and Biological Activities of Arylmethylamine Substituted Chlorotriazine and Methylthiotriazine Compounds
  作者：Huaping Zhao、Yuxiu Liu、Zhipeng Cui、David Beattie、Yucheng Gu、Qingmin Wang

  DOI：10.1021/jf203383s

  日期：2011.11.9

  Heterocyclic rings were introduced into the core structure of s-triazine to design and synthesize a series of novel triazines containing arylmethylamino moieties These compounds were characterized by using spectroscopic methods and elemental analysis Their herbicidal, insecticidal, fungicidal, and antitumor activities were evaluated Most Of these compounds exhibited good herbicidal activity, especially against the dicotyledonous weeds, and compound F8 was almost at the same level as the control compound atrazine Their structure activity relationships were discussed At the same tune, some triazines had interesting fungicidal and insecticidal activities, of which F4 exhibited 100% efficacy against Puccinia triticina even at 20 ppm, and F5 showed Lepidopteran-specific activity in both leaf-piece and artificial diet assays, Moreover, these compounds showed antitumor activities against leukemia HL-60 Cell line and lung adenocarcinoma A-549 cell line