5-((2-hydroxy-6-oxo-1-cyclohexen-1-yl)carbonyl)-3-(2-methoxyethyl)-2-(3-thienyl)-4(3H)-pyrimidinone | 1269998-77-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-((2-hydroxy-6-oxo-1-cyclohexen-1-yl)carbonyl)-3-(2-methoxyethyl)-2-(3-thienyl)-4(3H)-pyrimidinone
• CAS: 1269998-77-7
• 化学式: C₁₈H₁₈N₂O₅S
• 分子量: 374.417
• InChiKey: ZKQZRELIIBTIBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98.49
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  ethyl thiophene-3-carbimidate hydrocloride 在 N,N-二甲基甲酰胺 草酰氯 、 lithium iodide 作用下， 以 二氯甲烷 、 乙酸乙酯 、 均三甲苯 为溶剂， 反应 38.0h， 生成 5-((2-hydroxy-6-oxo-1-cyclohexen-1-yl)carbonyl)-3-(2-methoxyethyl)-2-(3-thienyl)-4(3H)-pyrimidinone
  参考文献：
  名称：

  [EN] HERBICIDAL PYRIMIDONE DERIVATIVES
  [FR] DÉRIVÉS HERBICIDES DE PYRIMIDONE

  摘要：

  揭示了Formula（1）的化合物，包括所有立体异构体、N-氧化物和盐，化学式：（I）X为CH或N；Y为C（O）或S（O）2；但当Y为S（O）2时，X为CH；A是从Formula组成的一组中选择的基团：A-1、A-2、A-3、A-4、A-5、A-6、A-7和B1、B2、B3、T，R1、R2，R3，R4，R5，R6，R7，R8，R9，R10，R11，R12和R13如披露中定义的那样。还揭示了含有Formula（1）化合物的组合物以及用于控制不受欢迎的植被的方法，包括将不受欢迎的植被或其环境与本发明的化合物或组合物的有效量接触。

  公开号：

  WO2011031658A1

文献信息

• HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES
  申请人：Patel Kanu Maganbhai

  公开号：US20120149573A1

  公开（公告）日：2012-06-14

  Disclosed are compounds of Formula 1, including all stereoisomers, N-oxides, and salts thereof, X is CH or N; Y is C(O) or S(O) 2 ; provided that when Y is S(O) 2 , then X is CH; A is a radical selected from the group consisting of and B 1 , B 2 , B 3 , T, R 1 , R 2 R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 and R 13 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of a compound or a composition of the invention.

  本发明涉及一种化合物，其化学式为1，包括所有立体异构体、N-氧化物和其盐。其中，X为CH或N；Y为C(O)或S(O)2；但当Y为S(O)2时，X为CH；A为从以下组中选择的基团：以及B1、B2、B3、T、R1、R2R3、R4、R5、R6、R7、R8、R9、R10、R11、R12和R13如本文所定义。本发明还涉及含有化合物1的组合物以及控制不良植物的方法，包括将不良植物或其环境与本发明化合物或组合物的有效量接触。
• Herbicidal pyrimidone derivatives
  申请人：Patel Kanu Maganbhai

  公开号：US08952024B2

  公开（公告）日：2015-02-10

  Disclosed are compounds of Formula 1, including all stereoisomers, N-oxides, and salts thereof, X is CH or N; Y is C(O) or S(O)2; provided that when Y is S(O)2, then X is CH; A is a radical selected from the group consisting of and B1, B2, B3, T, R1, R2 R3, R4, R5, R6, R7, R8, R9, R10, R11, R12 and R13 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of a compound or a composition of the invention.

  本发明涉及一种化合物，其化学式为1，包括所有立体异构体，N-氧化物和其盐。其中，X为CH或N；Y为C(O)或S(O)2；但当Y为S(O)2时，X为CH；A为从以下群组中选择的基团：B1、B2、B3、T、R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12和R13如上所述。本发明还涉及含有化合物1的组合物以及控制不良植被的方法，包括将不良植被或其环境与本发明的化合物或组合物的有效量接触。
• INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES
  申请人：E I DU PONT DE NEMOURS AND COMPANY

  公开号：US20150105549A1

  公开（公告）日：2015-04-16

  Disclosed are compounds of Formula 1, including all stereoisomers, N-oxides, and salts thereof, X is CH or N; Y is C(O) or S(O) 2 ; provided that when Y is S(O) 2 , then X is CH; A is a radical selected from the group consisting of and B 1 , B 2 , B 3 , T, R 1 , R 2 R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 and R 13 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of a compound or a composition of the invention.

  本发明涉及公式1的化合物，包括所有立体异构体、N-氧化物和其盐，其中X为CH或N；Y为C(O)或S(O)2；但当Y为S(O)2时，X为CH；A为从以下组中选择的基团：以及B1、B2、B3、T、R1、R2R3、R4、R5、R6、R7、R8、R9、R10、R11、R12和R13在本公开中所定义。本发明还涉及含有公式1化合物的组合物以及控制不良植物的方法，包括将一种本发明化合物或组合物的有效量与不良植物或其环境接触。
• Intermediates to prepare herbicidal pyrimidone derivatives
  申请人：E I DU PONT DE NEMOURS AND COMPANY

  公开号：US09187432B2

  公开（公告）日：2015-11-17

  Disclosed are compounds of Formula 1, including all stereoisomers, N-oxides, and salts thereof, X is CH or N; Y is C(O) or S(O)2; provided that when Y is S(O)2, then X is CH; A is a radical selected from the group consisting of and B1, B2, B3, T, R1, R2 R3, R4, R5, R6, R7, R8, R9, R10, R11, R12 and R13 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of a compound or a composition of the invention.

  本发明涉及一种公式1的化合物，包括所有立体异构体、N-氧化物和其盐，其中X为CH或N；Y为C（O）或S（O）2；但当Y为S（O）2时，X为CH；A为从以下组中选择的基团：B1、B2、B3、T、R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12和R13，在本公开中定义。还公开了含有公式1化合物的组合物，并公开了利用本发明的化合物或组合物与不良杂草或其环境接触以控制不良杂草的方法。
• [EN] HERBICIDAL PYRIMIDONE DERIVATIVES<br/>[FR] OXO-HÉTÉROCYCLES ET SULFONO-HÉTÉROCYCLES BIS-AZOTÉS HERBICIDES
  申请人：DU PONT

  公开号：WO2012033548A3

  公开（公告）日：2015-09-03