7-<2-chloro-4-(trifluoromethyl)phenoxy>-2-methyl-2H,4H-1,4-benzoxazin-3-one | 136390-05-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 7-<2-chloro-4-(trifluoromethyl)phenoxy>-2-methyl-2H,4H-1,4-benzoxazin-3-one
• 英文别名: 2-Methyl-7-[2-chloro-4-(trifluoromethyl)phenoxy]-2H-1,4-benzoxazin-3(4H)-one；7-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methyl-4H-1,4-benzoxazin-3-one
• CAS: 136390-05-1
• 化学式: C₁₆H₁₁ClF₃NO₃
• 分子量: 357.716
• InChiKey: GWVWUNWVAWARJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  428.6±45.0 °C(predicted)
• 密度：
  1.397±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 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：
  6

反应信息

• 作为反应物：
  描述：

  7-<2-chloro-4-(trifluoromethyl)phenoxy>-2-methyl-2H,4H-1,4-benzoxazin-3-one 、 炔丙基碘化物 在 sodium hydride 作用下， 生成 7-<2-chloro-4-(trifluoromethyl)phenoxy>-2-methyl-4-propargyl-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
• 作为产物：
  描述：

  methyl 2-<5-<2-chloro-4-(trifluoromethyl)phenoxy>-2-nitrophenoxy>propionate 在 镍 silica gel 、 ethyl acetate n-hexane 作用下， 以 乙醇 为溶剂， 生成 7-<2-chloro-4-(trifluoromethyl)phenoxy>-2-methyl-2H,4H-1,4-benzoxazin-3-one
  参考文献：
  名称：

  Benzoxazine derivative and benzothiazine derivative and herbicide

  摘要：

  一种具有以下式子（I）的苯并噁嗪衍生物和苯并噻嗪衍生物：##STR1## 其中A是N或CH基团；B是O、S、SO基团或SO.sub.2基团；W是O、S、CR.sup.4R.sup.5基团或NR.sup.4基团，其中R.sup.4和R.sup.5各自独立地为氢原子、CN基团或NO.sub.2基团；X、Y和Z各自独立地为氢原子、卤原子或具有1至3个碳原子的低卤代烷基团；R.sup.1是氢原子、具有1至5个碳原子的低烷基团、具有2至5个碳原子的低烯基团、具有2至5个碳原子的低炔基团、具有1至5个碳原子的低羟基烷基团或具有1至3个碳原子的低卤代烷基团；R.sup.2和R.sup.3各自独立地为氢原子、具有1至5个碳原子的低烷基团或具有6至10个碳原子的芳基团；以及一种含有式子（I）化合物作为活性成分的除草剂组合物。

  公开号：

  US05141551A1

文献信息

• Benzoxazine derivative and benzothiazine derivative and herbicide
  申请人：Suntory Limited

  公开号：US05141551A1

  公开（公告）日：1992-08-25

  A benzoxazine derivative and a benzothiazine derivative having the formula (I): ##STR1## wherein A is N or a CH group; B is O, S, and SO group or an SO.sub.2 group; W is O, S, a CR.sup.4 R.sup.5 group or an NR.sup.4 group wherein R.sup.4 and R.sup.5 are each independently a hydrogen atom, a CN group or an NO.sub.2 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; R.sup.1 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 R.sup.2 and R.sup.3 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.

  一种具有以下式子（I）的苯并噁嗪衍生物和苯并噻嗪衍生物：##STR1## 其中A是N或CH基团；B是O、S、SO基团或SO.sub.2基团；W是O、S、CR.sup.4R.sup.5基团或NR.sup.4基团，其中R.sup.4和R.sup.5各自独立地为氢原子、CN基团或NO.sub.2基团；X、Y和Z各自独立地为氢原子、卤原子或具有1至3个碳原子的低卤代烷基团；R.sup.1是氢原子、具有1至5个碳原子的低烷基团、具有2至5个碳原子的低烯基团、具有2至5个碳原子的低炔基团、具有1至5个碳原子的低羟基烷基团或具有1至3个碳原子的低卤代烷基团；R.sup.2和R.sup.3各自独立地为氢原子、具有1至5个碳原子的低烷基团或具有6至10个碳原子的芳基团；以及一种含有式子（I）化合物作为活性成分的除草剂组合物。
• 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。
• JPH06316568A
  申请人：——

  公开号：JPH06316568A

  公开（公告）日：1994-11-15
• US5141551A
  申请人：——

  公开号：US5141551A

  公开（公告）日：1992-08-25
• Synthesis of Novel Diphenyl Ether Herbicides
  作者：Motoo Sumida、Shinjiro Niwata、Harukazu Fukami、Takaharu Tanaka、Ko Wakabayashi、Peter Boeger

  DOI：10.1021/jf00055a032

  日期：1995.7

  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.