1-cyano-1-(1-piperidinocarbonyl)-3-[4-(4,6-dimethoxy-2-pyrimidyloxy)phenoxy]-2-butanone | 160190-70-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-cyano-1-(1-piperidinocarbonyl)-3-[4-(4,6-dimethoxy-2-pyrimidyloxy)phenoxy]-2-butanone
• 英文别名: 4-[4-(4,6-Dimethoxypyrimidin-2-yl)oxyphenoxy]-3-oxo-2-(piperidine-1-carbonyl)pentanenitrile
• CAS: 160190-70-5
• 化学式: C₂₃H₂₆N₄O₆
• 分子量: 454.483
• InChiKey: ABXICLQKLMLKRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• Cyanoketone derivative and herbicide containing it as an active component
  申请人：TOKUYAMA CORPORATION

  公开号：EP0688765A1

  公开（公告）日：1995-12-27

  A cyanoketone derivative of the following formula (1)    wherein A₁ is a substituted or unsubstituted phenyl or naphthyl group, or a substituted or unsubstituted heterocyclic group;    each of X₁, X₂, X₃ and X₄ is independently an oxygen or sulfur atom;    each of B₁, B₂ and B₃ is independently a hydrogen atom or a C₁ to C₆ alkyl group; each    of Y₁, Y₂, Y₃ and Y₄ is independently a hydrogen atom, a halogen atom or a C₁ to C₆ alkyl group; and    each of A₂ and A3 is independently selected from the group consisting of a hydrogen atom, a substituted or unsubstituted a C₁ to C₆ alkyl group, a C₂ to C₆ alkenyl group, a C₁ to C₄ alkoxy group, a C₁ to C₄ alkylthio group, a C₁ to C₆ alkoxycarbonyl group, a cyano group and a group as defined in A₁;    provided that both A₂ and A₃ can form a saturated or unsaturated ring which may contain a hetero atom and that when B₁ is a hydrogen atom and B₂ is alkyl, the compound of the formula (1) is an R- or S-enantiomers with regard to the asymmetric carbon to which B₁ and B₂ are bonded or a mixture of these enantiomers. The cyanoketone derivative has a extremely high herbicidal activity and is effective against a variety of gramineous weeds.

  下式（1）的氰酮衍生物 其中 A₁ 是取代或未取代的苯基或萘基，或取代或未取代的杂环基团； X₁、X₂、X₃ 和 X₄各自独立地为氧原子或硫原子； B₁、B₂ 和 B₃ 各自独立地为氢原子或 C₁ 至 C₆ 烷基 Y₁、Y₂、Y₃ 和 Y₄ 中各自独立地为氢原子、卤素原子或 C₁ 至 C₆ 烷基；以及 A₂ 和 A3 各自独立地选自由氢原子、取代或未取代的 C₁ 至 C₆ 烷基组成的组、C₂ 至 C₆ 烯基、C₁ 至 C₄ 烷氧基、C₁ 至 C₄ 烷硫基、C₁ 至 C₆ 烷氧羰基、氰基和 A₁ 中定义的基团； 条件是 A₂ 和 A₃ 可形成饱和或不饱和环，其中可含有杂原子，且当 B₁ 为氢原子和 B₂ 为烷基时，式（1）化合物就 B₁ 和 B₂ 键合的不对称碳而言是 R-或 S-对映体或这些对映体的混合物。 氰酮衍生物具有极高的除草活性，对多种禾本科杂草有效。