methyl-[5-(4-chlorophenyl)-3-methyl-1-(pyrimidin-5-yl)-1H-pyrazol-4-yl]acetate | 1202190-98-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl-[5-(4-chlorophenyl)-3-methyl-1-(pyrimidin-5-yl)-1H-pyrazol-4-yl]acetate
• 英文别名: methyl 2-[5-(4-chlorophenyl)-3-methyl-1-pyrimidin-5-ylpyrazol-4-yl]acetate
• CAS: 1202190-98-4
• 化学式: C₁₇H₁₅ClN₄O₂
• 分子量: 342.785
• InChiKey: INUYYUWQUNUUPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  69.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl [5-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]acetate 、 5-嘧啶硼酸 在 copper diacetate potassium tert-butylate 、 cesium fluoride 作用下， 以 二氯甲烷 为溶剂， 反应 45.0h， 以5.8%的产率得到methyl-[5-(4-chlorophenyl)-3-methyl-1-(pyrimidin-5-yl)-1H-pyrazol-4-yl]acetate
  参考文献：
  名称：

  SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS

  摘要：

  这项发明涉及一般式(I)的1-(3-二嗪基)吡唑-4-基乙酸衍生物及其盐，其中Het、R1、R2、R3、R4、R5、R6和n如规范中所定义。化合物(I)及其盐适用作除草剂和植物生长调节剂，特别是作为对有用植物作物中有害植物的选择性控制除草剂，并可通过规范中描述的方法制备。

  公开号：

  US20100160164A1

文献信息

• Substituted 1-(diazinyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators
  申请人：Bayer Cropscience AG

  公开号：US08298994B2

  公开（公告）日：2012-10-30

  The invention relates to 1-(3-diazinyl)pyrazol-4-ylacetic acid derivatives of the general formula (I) and salts thereof in which Het, R1, R2, R3, R4, R5, R6 and n are as defined in the specification. The compounds (I) and their salts are suitable as herbicides and plant growth regulators, in particular as herbicides for the selective control of harmful plants in crops of useful plants, and can be prepared by processes as described in the specification.

  本发明涉及一般式(I)及其盐的1-(3-吡唑啉基)吡唑-4-乙酸衍生物，其中Het，R1，R2，R3，R4，R5，R6和n如规范中所定义。化合物(I)及其盐适用于除草剂和植物生长调节剂，特别是作为除草剂用于有用植物作物中有害植物的选择性控制，并且可以通过规范中所述的方法制备。
• SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS
  申请人：JAKOBI Harald

  公开号：US20100160164A1

  公开（公告）日：2010-06-24

  The invention relates to 1-(3-diazinyl)pyrazol-4-ylacetic acid derivatives of the general formula (I) and salts thereof in which Het, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and n are as defined in the specification. The compounds (I) and their salts are suitable as herbicides and plant growth regulators, in particular as herbicides for the selctive control of harmful plants in crops of useful plants, and can be prepared by processes as described in the specification.

  这项发明涉及一般式(I)的1-(3-二嗪基)吡唑-4-基乙酸衍生物及其盐，其中Het、R1、R2、R3、R4、R5、R6和n如规范中所定义。化合物(I)及其盐适用作除草剂和植物生长调节剂，特别是作为对有用植物作物中有害植物的选择性控制除草剂，并可通过规范中描述的方法制备。