2-(3-chloro-pyridin-2-yl)-5-oxo-pyrazolidine-3-carboxylic acid pentyl ester | 1033407-63-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(3-chloro-pyridin-2-yl)-5-oxo-pyrazolidine-3-carboxylic acid pentyl ester
• 英文别名: pentyl 2-(3-chloropyridin-2-yl)-5-oxopyrazolidine-3-carboxylate；pentyl 2-(3-chloro-2-pyridinyl)-5-oxopyrazolidine-3-carboxylate
• CAS: 1033407-63-4
• 化学式: C₁₄H₁₈ClN₃O₃
• 分子量: 311.768
• InChiKey: MNZNSMLIWUUBPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  71.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3-chloro-pyridin-2-yl)-5-oxo-pyrazolidine-3-carboxylic acid pentyl ester 在 Oxone 作用下， 以 乙腈 为溶剂， 生成 2-(3-chloro-pyridin-2-yl)-5-hydroxy-2H-pyrazole-3-carboxylic acid pentyl ester
  参考文献：
  名称：

  NOVEL INSECTICIDES

  摘要：

  化合物(I)的杀虫剂化合物，其中G1、G2和G3与G1和G3连接的两个碳原子一起形成非芳香的4-或5-成员环系统；其中，G1是硫、SO、SO2、氧、直接键、NRa或CR5aR5b；G2是硫、SO、SO2、氧、直接键、NRb或CR5cR5d；G3是硫、SO、SO2、氧、直接键、NRc或CR5eR5f；具有以下规定：a）不超过1个基团G可以是直接键；b）不超过2个G基团可以是氧、硫、SO或SO2；c）当2个G基团是氧、SO、SO2和/或硫时，这两个基团之间由一个碳原子分隔；Z1和Z2中的每一个，可以相同也可以不同，代表氧或硫；D是苯或5-或6-成员杂芳环，R1a、R1b、R5a、R5b、R5c、R5d、R5e、R5f、Ra、RbRc、R2、R3和R20是指定的有机基团和农业上可接受的盐/异构体/对映体/互变异构体/氮氧化物。

  公开号：

  US20100273830A1
• 作为产物：
  描述：

  2-bromo-3-chlorocarbonyl-propionic acid pentyl ester 、 2-肼基-3-氯吡啶 在 碳酸氢钠 作用下， 以 乙腈 为溶剂， 生成 2-(3-chloro-pyridin-2-yl)-5-oxo-pyrazolidine-3-carboxylic acid pentyl ester
  参考文献：
  名称：

  [EN] CONDENSED ANTHRANILAMIDE INSECTICIDES
  [FR] NOUVEAUX INSECTICIDES

  摘要：

  公开号：

  WO2009010260A3

文献信息

• Preparation Method of Phenylcarboxamides
  申请人：Li Bin

  公开号：US20100317864A1

  公开（公告）日：2010-12-16

  A preparation method of phenylcarboxamides of formula (I), the reaction scheme of which is as follows: wherein the groups are defined in the description. In this method, 3-halo-1-(3-chloro-2-pyridinyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid esters (V) as the raw materials are hydrolyzed to obtain carboxylic acids of formula (IV) under a basic condition, and carboxylic acids (IV) are simultaneously acyl halogenated and oxidated to get acyl halide of formula (III), and then without the presence of a acid binging agent, acyl chlorides (III) are reacted with substituted anilines (II) to get phenylcarboxamides of formula (I) in high yield.

  一种式子（I）的苯基羧酰胺的制备方法，其反应方程式如下：其中，各基团在说明中定义。在这种方法中，以3-卤代-1-(3-氯-2-吡啶基)-4,5-二氢-1H-吡唑-5-羧酸酯（V）为原料，在碱性条件下水解得到式子（IV）的羧酸，并同时进行酰卤化和氧化，得到式子（III）的酰卤，然后在没有酸性结合剂的情况下，酰氯（III）与取代苯胺（II）反应，高产率地得到式子（I）的苯基羧酰胺。
• 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。
• Preparation method of phenylcarboxamides
  申请人：Sinochem Corporation

  公开号：US08217179B2

  公开（公告）日：2012-07-10

  A preparation method of phenylcarboxamides of formula (I), the reaction scheme of which is as follows: wherein the groups are defined in the description. In this method, 3-halo-1-(3-chloro-2-pyridinyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid esters (V) as the raw materials are hydrolyzed to obtain carboxylic acids of formula (IV) under a basic condition, and carboxylic acids (IV) are simultaneously acyl halogenated and oxidated to get acyl halide of formula (III), and then without the presence of a acid binging agent, acyl chlorides (III) are reacted with substituted anilines (II) to get phenylcarboxamides of formula (I) in high yield.

  一种式为(I)的苯基羧酰胺的制备方法，其反应方程式如下：其中所述的基团在说明中定义。在该方法中，以3-卤代-1-(3-氯-2-吡啶基)-4,5-二氢-1H-吡唑-5-羧酸酯(V)为原料，在碱性条件下水解得到式为(IV)的羧酸，同时羧酸(IV)被酰卤化和氧化得到式为(III)的酰卤，然后在没有酸性结合剂存在的情况下，酰氯(III)与取代苯胺(II)反应，得到式为(I)的苯基羧酰胺高产率。
• 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。