5-chloro-1-(4-methoxyphenyl)-2-oxo-1,2-dihydroquinoxaline-3-carboxylic acid | 1112127-95-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 5-chloro-1-(4-methoxyphenyl)-2-oxo-1,2-dihydroquinoxaline-3-carboxylic acid
• 英文别名: 8-Chloro-4-(4-methoxyphenyl)-3-oxo-3,4-dihydroquinoxaline-2-carboxylic acid；8-chloro-4-(4-methoxyphenyl)-3-oxoquinoxaline-2-carboxylic acid
• CAS: 1112127-95-3
• 化学式: C₁₆H₁₁ClN₂O₄
• 分子量: 330.727
• InChiKey: VPEDJTGZXSMEEH-UHFFFAOYSA-N

物化性质

• 沸点：
  569.4±60.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  79.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-chloro-1-(4-methoxyphenyl)-2-oxo-1,2-dihydroquinoxaline-3-carboxylic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 5-chloro-1-(4-methoxyphenyl)-2-oxo-1,2-dihydroquinoxaline-3-carbonyl chloride
  参考文献：
  名称：

  DIPHENYLAMINE COMPOUND AND METHOD FOR PRODUCING SAME

  摘要：

  公开号：

  EP2792667B1
• 作为产物：
  描述：

  4'-甲氧基甲酰苯胺 在 盐酸 、 甲醇 、 铁粉 、 sodium hydride 、 potassium carbonate 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 N-甲基吡咯烷酮 、 水 、 甲苯 为溶剂， 反应 40.5h， 生成 5-chloro-1-(4-methoxyphenyl)-2-oxo-1,2-dihydroquinoxaline-3-carboxylic acid
  参考文献：
  名称：

  DIPHENYLAMINE COMPOUND AND METHOD FOR PRODUCING SAME

  摘要：

  公开号：

  EP2792667B1

文献信息

• Methods for Producing Nitroso Compound and Quinoxaline Compound
  申请人：Kumiai Chemical Industry Co., Ltd.

  公开号：US20210253539A1

  公开（公告）日：2021-08-19

  A method for producing a nitroso compound of the following formula (3), comprising reacting a compound of the following formula (1) with a compound of the following formula (2) by using a tertiary alcohol and a base. wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 9 are each independently a hydrogen atom, a halogen atom, a (C1-C4) alkyl, or a (C1-C4) alkoxy.

  一种制备以下化学式（3）的亚硝基化合物的方法，包括通过使用三级醇和碱将以下化学式（1）的化合物与以下化学式（2）的化合物反应。其中R1、R2、R3、R4、R5、R6、R7、R8和R9分别独立地是氢原子、卤素原子、（C1-C4）烷基或（C1-C4）烷氧基。
• Substituted quinoxaline and an agrochemical composition thereof
  申请人：Tamai Ryuji

  公开号：US08389523B2

  公开（公告）日：2013-03-05

  The present invention is to provide an oxopyrazine derivative having an excellent herbicidal activity and besides exhibiting high safety for useful crops and the like, or a salt thereof, and a herbicide containing the same. The present invention relates to an oxopyrazine derivative represented by formula [I]: wherein X1 represents an oxygen atom or a sulfur atom; X2 represents CH or N(O)m; m represents an integer of 0 or 1; R1 represents a hydrogen atom, a C1-C12 alkyl group and the like; R2 represents a halogen atom, a cyano group and the like; R3 is a hydroxyl group, a halogen atom and the like; A1 represents C(R4R5); A2 represents C(R6R7) or C═O; A3 represents C(R8R9); R4 to R9 represent a hydrogen atom or an alkyl group, or a salt thereof, and a herbicide containing these compounds.

  本发明旨在提供一种具有优异除草活性并且对有用作物等表现出高度安全性的氧杂吡唑衍生物或其盐，以及含有该衍生物的除草剂。本发明涉及一种由式[I]表示的氧杂吡唑衍生物：其中，X1表示氧原子或硫原子；X2表示CH或N（O）m；m表示0或1的整数；R1表示氢原子、C1-C12烷基等；R2表示卤素原子、氰基等；R3表示羟基、卤素原子等；A1表示C（R4R5）；A2表示C（R6R7）或C═O；A3表示C（R8R9）；R4至R9表示氢原子或烷基等，或其盐，以及含有这些化合物的除草剂。
• DIPHENYLAMINE COMPOUNDS AND PRODUCTION METHOD THEREOF
  申请人：IHARA CHEMICAL INDUSTRY CO., LTD.

  公开号：US20140336415A1

  公开（公告）日：2014-11-13

  An inexpensive and convenient production method of diphenylamine compounds is provided, that can solve problems in the conventional technology such as decrease in reactivity, restriction of substituents, high temperature, high pressure, by-products or the like. Further, diphenylamine compounds useful as intermediates of medicine and agricultural chemicals are provided. Diphenylamine compounds are produced, represented by general formula (3): which is characterized by reacting aniline compounds represented by general formula (2): under the presence of base and ethers solvent, with 2,6-dichloronitrobenzene compound represented by general formula (1): and a diphenylamine compound represented by general formula (3).

  提供了一种廉价且便利的二苯胺化合物生产方法，可以解决传统技术中反应性降低、取代基限制、高温、高压、副产物等问题。此外，还提供了作为药物和农药中间体有用的二苯胺化合物。通过在碱和醚溶剂存在下，将通式（2）所表示的苯胺化合物与通式（1）所表示的2,6-二氯硝基苯化合物和通式（3）所表示的二苯胺化合物反应，制备出二苯胺化合物，其化学式为通式（3）。
• Substituted pyrido[2,3-b]pyrazines and an agrochemical composition thereof
  申请人：Kumiai Chemical Industry Co., Ltd.

  公开号：US08648075B2

  公开（公告）日：2014-02-11

  The present invention is to provide an oxopyrazine derivative having an excellent herbicidal activity and besides exhibiting high safety for useful crops and the like, or a salt thereof, and a herbicide containing the same. The present invention relates to an oxopyrazine derivative represented by formula [I]: wherein X1 represents an oxygen atom or a sulfur atom; X2 represents CH or N(O)m; m represents an integer of 0 or 1; R1 represents a hydrogen atom, a C1-C12 alkyl group and the like; R2 represents a halogen atom, a cyano group and the like; R3 is a hydroxyl group, a halogen atom and the like; A1 represents C(R4R5); A2 represents C(R6R7) or C═O; A3 represents C(R8R9); R4 to R9 represent a hydrogen atom or an alkyl group, or a salt thereof, and a herbicide containing these compounds.

  本发明提供一种具有优异除草活性且对有用作物等表现出高安全性的氧杂吡嗪衍生物或其盐，以及含有该衍生物的除草剂。本发明涉及一种由式[I]表示的氧杂吡嗪衍生物：其中，X1表示氧原子或硫原子；X2表示CH或N(O)m；m表示0或1的整数；R1表示氢原子、C1-C12烷基等；R2表示卤素原子、氰基等；R3表示羟基、卤素原子等；A1表示C(R4R5)；A2表示C(R6R7)或C═O；A3表示C(R8R9)；R4至R9表示氢原子或烷基，或其盐，以及含有这些化合物的除草剂。
• PRODUCTION METHODS FOR NITROSO COMPOUND AND QUINOXALINE COMPOUND
  申请人：Kumiai Chemical Industry Co., Ltd.

  公开号：EP3795558A1

  公开（公告）日：2021-03-24

  A method for producing a nitroso compound of the following formula (3), comprising reacting a compound of the following formula (1) with a compound of the following formula (2) by using a tertiary alcohol and a base. wherein R1, R2, R3, R4, R5, R6, R7, R8, and R9 are each independently a hydrogen atom, a halogen atom, a (C1-C4) alkyl, or a (C1-C4) alkoxy.

  一种生产下式(3)亚硝基化合物的方法，包括使用叔醇和碱使下式(1)化合物与下式(2)化合物反应。 其中 R1、R2、R3、R4、R5、R6、R7、R8 和 R9 各自独立地为氢原子、卤原子、(C1-C4)烷基或(C1-C4)烷氧基。