5-[(2-hydroxy-6-oxo-1-cyclohexen-1-yl)carbonyl]-3-[2-(methylsulfonyl)ethyl]-2-phenyl-4(3H)-pyrimidinone | 1271166-89-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-[(2-hydroxy-6-oxo-1-cyclohexen-1-yl)carbonyl]-3-[2-(methylsulfonyl)ethyl]-2-phenyl-4(3H)-pyrimidinone
• CAS: 1271166-89-2
• 化学式: C₂₀H₂₀N₂O₆S
• 分子量: 416.455
• InChiKey: DXHQTRLXONPMQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  123.4
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  5-[(2-hydroxy-6-oxo-1-cyclohexen-1-yl)carbonyl]-3-[2-(methylthio)ethyl]-2-phenyl-4(3H)-pyrimidinone 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 5-[(2-hydroxy-6-oxo-1-cyclohexen-1-yl)carbonyl]-3-[2-(methylsulfonyl)ethyl]-2-phenyl-4(3H)-pyrimidinone
  参考文献：
  名称：

  [EN] HERBICIDAL PYRIMIDONE DERIVATIVES
  [FR] OXO-HÉTÉROCYCLES ET SULFONO-HÉTÉROCYCLES BIS-AZOTÉS HERBICIDES

  摘要：

  公开号：

  WO2012033548A3

文献信息

• [EN] HERBICIDAL BIS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES<br/>[FR] OXO-HÉTÉROCYCLES ET SULFONO-HÉTÉROCYCLES BIS-AZOTÉS HERBICIDES
  申请人：DU PONT

  公开号：WO2012033548A2

  公开（公告）日：2012-03-15

  Disclosed are compounds of Formula (1), including all stereoisomers, N-oxides, and salts thereof, (Formula (1)), 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 Formulae (A-1), (A-2), (A-3), (A-4), (A-5), (A-6) and (A-7); 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.