7-<2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy>-2-methyl-2H,4H-1,4-benzoxazin-3-one | 136390-26-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 7-<2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy>-2-methyl-2H,4H-1,4-benzoxazin-3-one
• 英文别名: 2-Methyl-7-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2H-1,4-benzoxazin-3(4H)-one；7-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methyl-4H-1,4-benzoxazin-3-one
• CAS: 136390-26-6
• 化学式: C₁₆H₁₀ClF₄NO₃
• 分子量: 375.707
• InChiKey: YKHUBPZQISNJKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  7-<2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy>-2-methyl-2H,4H-1,4-benzoxazin-3-one 在 劳森试剂 、 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 2.33h， 生成 7-<2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy>-2,4-dimethyl-2H,4H-1,4-benzoxazine-3-thione
  参考文献：
  名称：

  Synthesis of Novel Diphenyl Ether Herbicides

  摘要：

  The benzoxazine derivatives are a new chemical family of diphenyl ether herbicides, which exhibit a strong peroxidizing herbicidal activity on mono- and dicotyledonous species in preemergence and postemergence tests. Twenty derivatives were synthesized, and their herbicidal activity was determined to examine structure-activity relationships. Among the compounds investigated, it was found that the fluorine atom introduction into the trifluoromethylbenzene moiety together with an oxazine ring instead of a nitro group led to the most active herbicide.

  DOI：

  10.1021/jf00055a032
• 作为产物：
  描述：

  2-[5-(2-Chloro-6-fluoro-4-trifluoromethyl-phenoxy)-2-nitro-phenoxy]-propionic acid methyl ester 在 镍 氢气 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以78%的产率得到7-<2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy>-2-methyl-2H,4H-1,4-benzoxazin-3-one
  参考文献：
  名称：

  Synthesis of Novel Diphenyl Ether Herbicides

  摘要：

  The benzoxazine derivatives are a new chemical family of diphenyl ether herbicides, which exhibit a strong peroxidizing herbicidal activity on mono- and dicotyledonous species in preemergence and postemergence tests. Twenty derivatives were synthesized, and their herbicidal activity was determined to examine structure-activity relationships. Among the compounds investigated, it was found that the fluorine atom introduction into the trifluoromethylbenzene moiety together with an oxazine ring instead of a nitro group led to the most active herbicide.

  DOI：

  10.1021/jf00055a032

文献信息

• Benzoxazine derivatives, benzothiazine derivatives and herbicides comprising the same
  申请人：SUNTORY LIMITED

  公开号：EP0434440A1

  公开（公告）日：1991-06-26

  A benzoxazine derivative and a benzothiazine derivative having the formula (I): wherein A is N or a CH group; B is O, S, an SO group or an SO₂ group; W is O, S, a CR⁴R⁵ group or an NR⁴ group wherein R⁴ and R⁵ are each independently a hydrogen atom, a CN group or an NO₂ group; X, Y and Z are each independently a hydrogen atom, a halogen atom or a lower haloalkyl group having 1 to 3 carbon atoms; R¹ is a hydrogen atom, a lower alkyl group having 1 to 5 carbon atoms, a lower alkenyl group having 2 to 5 carbon atoms, a lower alkynyl group having 2 to 5 carbon atoms, a lower hydroxyalkyl group having 1 to 5 carbon atoms or a lower haloalkyl group having 1 to 3 carbon atoms; and R² and R³ are each independently a hydrogen atom, a lower alkyl group having 1 to 5 carbon atoms or an aryl group having 6 to 10 carbon atoms and a herbicidal composition containing the compound of the formula (I) as an active ingredient.

  具有式 (I) 的苯并恶嗪衍生物和苯并噻嗪衍生物： 其中 A 是 N 或 CH 基团 B 是 O、S、SO 基团或 SO₂ 基团 W 是 O、S、CR⁴R⁵ 基团或 NR⁴ 基团，其中 R⁴ 和 R⁵ 各自独立地是氢原子、CN 基团或 NO₂ 基团； X、Y 和 Z 各自独立地为氢原子、卤素原子或具有 1 至 3 个碳原子的低级卤代烷基； R¹ 是氢原子、具有 1 至 5 个碳原子的低级烷基、具有 2 至 5 个碳原子的低级烯基、具有 2 至 5 个碳原子的低级炔基、具有 1 至 5 个碳原子的低级羟烷基或具有 1 至 3 个碳原子的低级卤烷基；以及 R² 和 R³ 各自独立地为氢原子、具有 1 至 5 个碳原子的低级烷基或具有 6 至 10 个碳原子的芳基。
• US5141551A
  申请人：——

  公开号：US5141551A

  公开（公告）日：1992-08-25