6-chloro-5-(3-chlorophenyl)-3-(3-fluorophenyl)-1,2,4-triazine | 158843-00-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-chloro-5-(3-chlorophenyl)-3-(3-fluorophenyl)-1,2,4-triazine
• CAS: 158843-00-6
• 化学式: C₁₅H₈Cl₂FN₃
• 分子量: 320.153
• InChiKey: OVHYGQKJFZVZGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲醇 、 6-chloro-5-(3-chlorophenyl)-3-(3-fluorophenyl)-1,2,4-triazine 在 sodium methylate 作用下， 反应 2.0h， 以98%的产率得到5-(3-Chlorophenyl)-3-(3-fluorophenyl)-6-methoxy-1,2,4-triazine
  参考文献：
  名称：

  Synthesis of 6-Substituted 3,5-Diaryl-1,2,4-triazines as Potential Herbicidal Agents

  摘要：

  A variety of 6-substituted 3,5-diaryl-1,2,4-triazines were synthesized. These diaryltriazines, which incorporate a triazine nucleus substituted by two aryl moieties, comprise a new class of bleaching herbicides. The structure-activity relationships were proved by introducing a variety of substituents into the triazine and/or two aryl groups. The results indicated very specific structure requirements for herbicidal activity. Highest activity was seen with compounds that contain three substituents: a chlorine group at a meta position of an aryl moiety at the triazine 5-position, a fluorine group at the meta or para position of the other aryl moiety at the 3-position, and an ethylamino group at the 6-position of the triazine nucleus.

  DOI：

  10.1021/jf00051a053
• 作为产物：
  描述：

  在 三氯氧磷 作用下， 反应 5.0h， 以41%的产率得到6-chloro-5-(3-chlorophenyl)-3-(3-fluorophenyl)-1,2,4-triazine
  参考文献：
  名称：

  Synthesis of 6-Substituted 3,5-Diaryl-1,2,4-triazines as Potential Herbicidal Agents

  摘要：

  A variety of 6-substituted 3,5-diaryl-1,2,4-triazines were synthesized. These diaryltriazines, which incorporate a triazine nucleus substituted by two aryl moieties, comprise a new class of bleaching herbicides. The structure-activity relationships were proved by introducing a variety of substituents into the triazine and/or two aryl groups. The results indicated very specific structure requirements for herbicidal activity. Highest activity was seen with compounds that contain three substituents: a chlorine group at a meta position of an aryl moiety at the triazine 5-position, a fluorine group at the meta or para position of the other aryl moiety at the 3-position, and an ethylamino group at the 6-position of the triazine nucleus.

  DOI：

  10.1021/jf00051a053

文献信息

• Synthesis of 6-Substituted 3,5-Diaryl-1,2,4-triazines as Potential Herbicidal Agents
  作者：Shoetsu Konno、Noriko Osawa、Hiroshi Yamanaka、Yuzuru Sanemitsu、Shinichi Kawamura、Masaharu Sakaki

  DOI：10.1021/jf00051a053

  日期：1995.3

  A variety of 6-substituted 3,5-diaryl-1,2,4-triazines were synthesized. These diaryltriazines, which incorporate a triazine nucleus substituted by two aryl moieties, comprise a new class of bleaching herbicides. The structure-activity relationships were proved by introducing a variety of substituents into the triazine and/or two aryl groups. The results indicated very specific structure requirements for herbicidal activity. Highest activity was seen with compounds that contain three substituents: a chlorine group at a meta position of an aryl moiety at the triazine 5-position, a fluorine group at the meta or para position of the other aryl moiety at the 3-position, and an ethylamino group at the 6-position of the triazine nucleus.