3-bromo-N-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide | 1033407-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-bromo-N-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide
• 英文别名: 5-bromo-N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl]-2-(3-chloropyridin-2-yl)-3,4-dihydropyrazole-3-carboxamide
• CAS: 1033407-58-7
• 化学式: C₂₁H₂₀BrCl₂N₅O₂
• 分子量: 525.232
• InChiKey: SHOOITUBUBXCQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  86.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-bromo-N-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide 在 双氧水 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 30.0h， 生成 3-bromo-N-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  PROCESS AND INTERMEDIATES FOR PRODUCTION OF AN ANTHRANILAMIDE COMPOUND

  摘要：

  公开号：

  EP2093223B1
• 作为产物：
  描述：

  5-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenylcarbamoyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl 3-nitrobenzene sulfonate 在 sodium hydroxide 作用下， 以 溶剂黄146 、 水 、 乙酸乙酯 为溶剂， 反应 1.5h， 以99%的产率得到3-bromo-N-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  PROCESS FOR PRODUCING AN ANTHRANILAMIDE COMPOUND

  摘要：

  公开号：

  EP2264021B1

文献信息

• PROCESS FOR PRODUCING ANTHRANILAMIDE COMPOUND
  申请人：Koyanagi Toru

  公开号：US20100063293A1

  公开（公告）日：2010-03-11

  To provide a process for producing a specific anthranilamide compound or its salt. To provide a process for producing an anthranilamide compound represented by the formula (I) or its salt: wherein each of R 1a and R 3 which are independent of each other, is halogen or haloalkyl; R 2 is cyclopropyl alkyl or cyclobutyl alkyl; and Hal is a chlorine atom or a bromine atom, which comprises a step of selectively halogenating a compound represented by the formula (II): wherein R 1a , R 2 and R 3 are as defined above.

  提供一种生产特定蒽酰胺化合物或其盐的过程。提供一种生产由式(I)表示的蒽酰胺化合物或其盐的过程：其中，独立的R1a和R3分别为卤素或卤代烷基；R2为环丙基烷基或环丁基烷基；Hal为氯原子或溴原子；包括选择性卤代化式(II)所表示的化合物的步骤：其中，R1a、R2和R3如上所定义。
• Process for producing anthranilamide compound
  申请人：Ishihara Sangyo Kaisha, Ltd.

  公开号：US08115006B2

  公开（公告）日：2012-02-14

  To provide a process for producing a specific anthranilamide compound or its salt. To provide a process for producing an anthranilamide compound represented by the formula (I) or its salt: wherein each of R1a and R3 which are independent of each other, is halogen or haloalkyl; R2 is cyclopropyl alkyl or cyclobutyl alkyl; and Hal is a chlorine atom or a bromine atom, which comprises a step of selectively halogenating a compound represented by the formula (II): wherein R1a, R2 and R3 are as defined above.

  提供一种生产特定蒽酰胺化合物或其盐的方法。提供一种生产由公式（I）表示的蒽酰胺化合物或其盐的方法：其中独立的R1a和R3分别是卤素或卤代烷基；R2是环丙基烷基或环丁基烷基；Hal是氯原子或溴原子，包括一步选择性卤代化公式（II）表示的化合物的步骤：其中R1a，R2和R3如上所定义。
• PROCESS FOR PRODUCTION OF ANTHRANILAMIDE COMPOUND
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP2093223A1

  公开（公告）日：2009-08-26

  To provide a process for producing a specific anthranilamide compound or its salt. To provide a process for producing an anthranilamide compound represented by the formula (I) or its salt: wherein each of R1a and R3 which are independent of each other, is halogen or haloalkyl; R2 is cyclopropyl alkyl or cyclobutyl alkyl; and Hal is a chlorine atom or a bromine atom, which comprises a step of selectively halogenating a compound represented by the formula (II): wherein R1a, R2 and R3 are as defined above.

  提供一种生产特定蒽酰胺化合物或其盐的工艺。 提供一种生产由式（I）代表的蒽酰胺化合物或其盐的工艺： 其中相互独立的R1a和R3各自为卤素或卤代烷基；R2为环丙基烷基或环丁基烷基；Hal为氯原子或溴原子，该工艺包括选择性卤化式(II)代表的化合物的步骤： 其中 R1a、R2 和 R3 如上定义。
• PROCESS AND INTERMEDIATES FOR PRODUCTION OF AN ANTHRANILAMIDE COMPOUND
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP2093223B1

  公开（公告）日：2013-08-21
• US8115006B2
  申请人：——

  公开号：US8115006B2

  公开（公告）日：2012-02-14