Benzyl 2-acetyl-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate | 136192-66-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Benzyl 2-acetyl-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate
• 英文别名: Benzyl 2-acetyl-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate；benzyl 2-acetyl-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
• CAS: 136192-66-0
• 化学式: C₂₂H₂₀N₂O₆
• 分子量: 408.411
• InChiKey: JYDOBSDTRNTRDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  96.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  甲氧基胺盐酸盐 、 Benzyl 2-acetyl-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate 在 potassium acetate 作用下， 以 甲醇 为溶剂， 反应 6.0h， 生成 2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-6-{1-[(E)-methoxyimino]-ethyl}-benzoic acid benzyl ester
  参考文献：
  名称：

  Studies of the New Herbicide KIH-6127. Part III. Synthesis and Structure-Activity Studies of Analogues of KIH-6127 against Barnyard Grass (Echinochloa oryzicola)*

  摘要：

  DOI：

  10.1002/(sici)1096-9063(199701)49:1<76::aid-ps491>3.0.co;2-e
• 作为产物：
  描述：

  Methyl 6-acetylsalicylate 在 氢氧化钾 、 potassium carbonate 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 Benzyl 2-acetyl-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate
  参考文献：
  名称：

  Studies of the New Herbicide KIH-6127. Part II. Synthesis and Herbicidal Activity of 6-Acyl Pyrimidin-2-yl Salicylates and Analogues against Barnyard Grass

  摘要：

  The method reported previously (Part I) was employed to prepare a variety of novel 6-acylsalicylates as key intermediates. 6-Acylpyrimidin-2-yl salicylates (2-acyl-6-[(4,6-disubstituted pyrimidin-2-yl)oxy]benzoate derivatives: Type 1), the closely related phthalide compounds (3-alkyl-7-[(4,6-dimethoxypyrimidin-2-yl)oxy]phthalide derivatives: Type 2) and the ketal derivatives of 2-acyl-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoates (Type 3) were synthesized and their herbicidal activities measured. Methyl 2-acetyl-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate gave excellent control of barnyard grass with a promising profile as a prototype rice herbicide.

  DOI：

  10.1002/(sici)1096-9063(199608)47:4<327::aid-ps432>3.0.co;2-u

文献信息

• Studies of the New Herbicide KIH-6127. Part III. Synthesis and Structure-Activity Studies of Analogues of KIH-6127 against Barnyard Grass (<i>Echinochloa oryzicola</i>)*
  作者：Masatoshi Tamaru、Naoshi Masuyama、Masahiro Sato、Fumiaki Takabe、Jun Inoue、Ryo Hanai

  DOI：10.1002/(sici)1096-9063(199701)49:1<76::aid-ps491>3.0.co;2-e

  日期：1997.1
• Studies of the New Herbicide KIH-6127. Part II. Synthesis and Herbicidal Activity of 6-Acyl Pyrimidin-2-yl Salicylates and Analogues against Barnyard Grass
  作者：Masatoshi Tamaru、Takayoshi Takehi、Naoshi Masuyama、Ryo Hanai

  DOI：10.1002/(sici)1096-9063(199608)47:4<327::aid-ps432>3.0.co;2-u

  日期：1996.8

  The method reported previously (Part I) was employed to prepare a variety of novel 6-acylsalicylates as key intermediates. 6-Acylpyrimidin-2-yl salicylates (2-acyl-6-[(4,6-disubstituted pyrimidin-2-yl)oxy]benzoate derivatives: Type 1), the closely related phthalide compounds (3-alkyl-7-[(4,6-dimethoxypyrimidin-2-yl)oxy]phthalide derivatives: Type 2) and the ketal derivatives of 2-acyl-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoates (Type 3) were synthesized and their herbicidal activities measured. Methyl 2-acetyl-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate gave excellent control of barnyard grass with a promising profile as a prototype rice herbicide.