(2S)-8-chloro-2-methyl-4H-1,4-benzoxazin-3-one

• 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: (2S)-8-chloro-2-methyl-4H-1,4-benzoxazin-3-one
• 化学式: C₉H₈ClNO₂
• 分子量: 197.621
• InChiKey: RKTNURQZKNDYPV-YFKPBYRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2S)-8-chloro-2-methyl-4H-1,4-benzoxazin-3-one 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 硼烷四氢呋喃络合物 、 potassium acetate 、 sodium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 二氯甲烷 、 水 、 二甲基亚砜 为溶剂， 反应 0.42h， 生成 [(2S)-8-chloro-2,3-dihydro-2-methyl-4H-1,4-benzoxazin-4-yl][3-(2-methyl-2H-1,2,3-triazol-4-yl)phenyl]methanone
  参考文献：
  名称：

  [EN] HERBICIDAL BENZOXAZINES
  [FR] BENZOXAZINES HERBICIDES

  摘要：

  Disclosed are compounds of Formula (I), including all stereoisomers,N-oxides, and salts thereof, agricultural compositions containing them and their use as herbicides A is a 5- or 6-membered heterocyclic ring, containing ring members selected from carbon atoms and up to 4 heteroatoms independently selected from up to 2 O, up to 2 S and up to 4 N atoms, one or two carbon or sulfur ring members of the heterocycle can optionally be in the oxidized form of a carbonyl, sulfonyl, sulfinyl moiety, said ring bound to the remainder of Formula (1) through a carbon atom or a heteroatom, and optionally substituted with 1 to 4 R1; and R1a, R1b, R2, R3a, R3b, R4a,R4b, X1, X2, n, p and q are as defined in the disclosure.

  公开号：

  WO2024015425A1
• 作为产物：
  描述：

  2-氯-6-硝基苯酚 在 偶氮二甲酸二异丙酯 、 铁粉 、 氯化铵 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 48.0h， 生成 (2S)-8-chloro-2-methyl-4H-1,4-benzoxazin-3-one
  参考文献：
  名称：

  [EN] HERBICIDAL BENZOXAZINES
  [FR] BENZOXAZINES HERBICIDES

  摘要：

  Disclosed are compounds of Formula (I), including all stereoisomers,N-oxides, and salts thereof, agricultural compositions containing them and their use as herbicides A is a 5- or 6-membered heterocyclic ring, containing ring members selected from carbon atoms and up to 4 heteroatoms independently selected from up to 2 O, up to 2 S and up to 4 N atoms, one or two carbon or sulfur ring members of the heterocycle can optionally be in the oxidized form of a carbonyl, sulfonyl, sulfinyl moiety, said ring bound to the remainder of Formula (1) through a carbon atom or a heteroatom, and optionally substituted with 1 to 4 R1; and R1a, R1b, R2, R3a, R3b, R4a,R4b, X1, X2, n, p and q are as defined in the disclosure.

  公开号：

  WO2024015425A1