2-羟基-3-羧酸甲酯-5-氯吡嗪 | 21874-47-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-羟基-3-羧酸甲酯-5-氯吡嗪
• 中文别名: 6-氯-3-氧代-3,4-二氢-2-吡嗪羧酸甲酯
• 英文名称: Methyl-3-hydroxy-6-chlorpyrazinoat
• 英文别名: 6-chloro-3-oxo-3,4-dihydro-pyrazine-2-carboxylic acid methyl ester；methyl 6-chloro-3-hydroxy-2-pyrazinecarboxylate；Methyl 6-chloro-3-hydroxypyrazine-2-carboxylate；methyl 5-chloro-2-oxo-1H-pyrazine-3-carboxylate
• CAS: 21874-47-5
• 化学式: C₆H₅ClN₂O₃
• mdl: MFCD10697768
• 分子量: 188.57
• InChiKey: QJUBTZMSLDLOPZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.57±0.1 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  67.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-羟基-3-羧酸甲酯-5-氯吡嗪 、 氨 反应 1.0h， 以to obtain 0.18 g of 6-chloro-3-hydroxy-2-pyrazinecarboxamide的产率得到6-氯-3,4-二氢-3-氧代-2-吡嗪羧酰胺
  参考文献：
  名称：

  Nitrogen-containing heterocyclic carboxamide derivatives or salts thereof and antiviral agents comprising the same

  摘要：

  下述一般公式所代表的含氮杂环羧酰胺衍生物：其中环A是取代或未取代的吡嗪、嘧啶、吡嗪嗪或三嗪环；R1为O或OH；R2为氢原子、酰基或取代或未取代的氨基甲基或羧基甲基基团；破折线表示单键或双键；或其盐，可用于预防和治疗病毒感染，特别是流感病毒感染。

  公开号：

  US06787544B2

文献信息

• Novel pyrazine derivatives or salts thereof, pharmaceutical composition containing the same, and production intermediates thereof
  申请人：Toyama Chemical Co., Ltd.

  公开号：US20030130213A1

  公开（公告）日：2003-07-10

  Pyrazine derivatives represented by general formula [1]: 1 wherein the variables are as defined in the specification, or salts thereof have an excellent antiviral activity and are useful as a therapeutic agent for treating viral infections. Further, fluoropyrazine-carboxamide derivatives represented by general formula [2]: 2 wherein the variables are as defined in the specification, or salts thereof are useful as an intermediate for production of the compounds of general formula [1], and as an intermediate for production of the fluoropyrazine-carboxamide derivatives of which one typical example is 6-fluoro-3-hyroxy-2-pyrazine-carboxamide having an antiviral activity.

  具有通式[1]所示的吡嗪衍生物及其盐，其中变量如说明书中所定义，具有优异的抗病毒活性，可作为治疗病毒感染的治疗剂。此外，具有通式[2]所示的氟吡嗪-酰胺衍生物及其盐，其中变量如说明书中所定义，可作为制备通式[1]化合物的中介体，以及作为制备具有抗病毒活性的氟吡嗪-酰胺衍生物的中介体，其中一个典型例子是具有抗病毒活性的6-氟-3-羟基-2-吡嗪酰胺。
• Nitrogen-containing heterocyclic carboxamide derivatives or salts thereof and antiviral agents comprising the same
  申请人：——

  公开号：US20020013316A1

  公开（公告）日：2002-01-31

  Nitrogen-containing heterocyclic carboxamide derivatives represented by the following general formula: 1 wherein ring A is a substituted or unsubstituted pyrazine, pyrimidine, pyridazine or triazine ring; R 1 is O or OH; R 2 is a hydrogen atom, an acyl group or a substituted or unsubstituted carbamoylalkyl or carboxyalkyl group; and the broken line represents a single bond or a double bond; or salts thereof are useful for preventing and treating virus infections and especially influenza virus infections.

  以下通用公式代表的含氮杂环羧酰胺衍生物：其中环A是取代或未取代的吡啶、嘧啶、吡啉嗪或三嗪环；R1是O或OH；R2是氢原子、酰基或取代或未取代的氨基烷基或羧基烷基；断裂线表示单键或双键；或其盐对于预防和治疗病毒感染，特别是流感病毒感染是有用的。
• Pyrazinone derivatives as insecticides
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0408196A2

  公开（公告）日：1991-01-16

  Pyrazinone derivatives useful as insecticides have the formula (I) : wherein A is N or C-R¹; R¹ and R² are independently selected from hydrogen, halogen, haloalkyl, cyano or nitro; R³ and R⁴ are independently selected from hydrogen, halogen, alkyl or cycloalkyl; R⁵ is cyano, halo, nitro, alkoxy, haloalkyl, haloalkoxy or -S(O)nR¹⁰; R⁶ is halo, cyano, nitro, haloalkyl, haloalkoxy, alkoxycarbonyl or -S(O)nR¹⁰; R⁷ is hydrogen, halogen, cyano, nitro, alkyl, alkoxy, alkylthio, haloalkylthio, alkoxycarbonyl, NR¹¹R¹² or haloalkyl; R⁸ is H, halo, NR¹¹R¹², alkyl, cycloalkyl or S(O)nR¹⁰; and R⁹ is oxygen or sulphur; where n is 0, 1 or 2; and R¹⁰ is alkyl, haloalkyl or cycloalkyl and R¹¹ and R¹² are independently selected from hydrogen, alkyl, cycloalkyl, benzyl or substituted benzyl.

  可用作杀虫剂的吡嗪酮衍生物具有式 (I) ： 其中 A 是 N 或 C-R¹；R¹ 和 R² 独立选自氢、卤素、卤代烷基、氰基或硝基；R³ 和 R⁴ 独立选自氢、卤素、烷基或环烷基；R⁵ 是氰基、卤素、硝基、烷氧基、卤代烷基、卤代烷氧基或 -S(O)nR¹⁰； R⁶ 是卤素、氰基、硝基、卤代烷基、卤代烷氧基、烷氧羰基或 -S(O)nR¹⁰；R⁷ 是氢、卤素、氰基、硝基、烷基、烷氧基、烷硫基、卤代烷硫基、烷氧基羰基、NR¹¹R¹² 或卤代烷基；R⁸ 是氢、卤素、NR¹¹R¹²、烷基、环烷基或 S(O)nR¹⁰ ；其中 n 为 0、1 或 2；R¹⁰ 为烷基、卤代烷基或环烷基，R¹ 和 R¹² 独立选自氢、烷基、环烷基、苄基或取代的苄基。
• NITROGENOUS HETEROCYCLIC CARBOXAMIDE DERIVATIVES OR SALTS THEREOF AND ANTIVIRAL AGENTS CONTAINING BOTH
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP1112743A1

  公开（公告）日：2001-07-04

  Nitrogen-containing heterocyclic carboxamide derivatives represented by the following general formula: wherein ring A is a substituted or unsubstituted pyrazine, pyrimidine, pyridazine or triazine ring; R1 is O or OH; R2 is a hydrogen atom, an acyl group or a substituted or unsubstituted carbamoylalkyl or carboxyalkyl group; and the broken line represents a single bond or a double bond; or salts thereof are useful for preventing and treating virus infections and especially influenza virus infections.

  由以下通式表示的含氮杂环羧酰胺衍生物： 其中环 A 是取代或未取代的吡嗪环、嘧啶环、哒嗪环或三嗪环；R1 是 O 或 OH；R2 是氢原子、酰基或取代或未取代的氨基甲酰基或羧基；断线代表单键或双键；或其盐类可用于预防和治疗病毒感染，尤其是流感病毒感染。
• NOVEL PYRAZINE DERIVATIVES OR SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES OR THE SALTS AND INTERMEDIATES FOR THE PREPARATION OF BOTH
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP1256588A1

  公开（公告）日：2002-11-13

  Pyrazine derivatives represented by general formula [1]: wherein the variables are as defined in the specification, or salts thereof have an excellent antiviral activity and are useful as a therapeutic agent for treating viral infections. Further, fluoropyrazine-carboxamide derivatives represented by general formula [2]: wherein the variables are as defined in the specification, or salts thereof are useful as an intermediate for production of the compounds of general formula [1], and as an intermediate for production of the fluoropyrazine-carboxamide derivatives of which one typical example is 6-fluoro-3-hyroxy-2-pyrazine-carboxamide having an antiviral activity.

  通式[1]代表的吡嗪衍生物： 其中的变量如说明书中所定义，或其盐类具有优异的抗病毒活性，可作为治疗病毒感染的治疗剂。 此外，通式[2]代表的氟吡嗪甲酰胺衍生物： 其中的变量如说明书中所定义，或其盐类可用作生产通式[1]化合物的中间体，也可用作生产氟吡嗪-甲酰胺衍生物的中间体，其中一个典型的例子是具有抗病毒活性的6-氟-3-羟基-2-吡嗪-甲酰胺。