ethyl (RS)-2-(2-chloropyrimidin-5-yl)-3-methylbutanoate | 122936-55-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: ethyl (RS)-2-(2-chloropyrimidin-5-yl)-3-methylbutanoate
• 英文别名: ethyl 2-(2-chloropyrimidin-5-yl)-3-methylbutanoate
• CAS: 122936-55-4
• 化学式: C₁₁H₁₅ClN₂O₂
• 分子量: 242.705
• InChiKey: IKZCGOOIJVAPLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl (RS)-2-(2-chloropyrimidin-5-yl)-3-methylbutanoate 、 4-甲氧基-2,3,5,6-四氟苯甲醇 、 titanium(IV) tetraethanolate 生成 2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl (RS)-2-(2-chloropyrimidin-5-yl)-3-methylbutanoate
  参考文献：
  名称：

  MCDONALD, EDWARD;SALMON, ROGER;WHITTLE, ALAN JOHN;HUTCHINGS, MICHAEL GORD+

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl (RS)-2-(2-aminopyrimidin-5-yl)-3-methylbutanoate 、 sodium nitrite 、 盐酸 生成 ethyl (RS)-2-(2-chloropyrimidin-5-yl)-3-methylbutanoate
  参考文献：
  名称：

  MCDONALD, EDWARD;SALMON, ROGER;WHITTLE, ALAN JOHN;HUTCHINGS, MICHAEL GORD+

  摘要：

  DOI：

文献信息

• Insecticidally and acaricidally active pyrimidine esters and
  申请人：Imperial Chemical Industries PLC

  公开号：US04962109A1

  公开（公告）日：1990-10-09

  This invention provides novel insecticidally and acaricidally active pyrimidine derivatives of formula (I): ##STR1## and stereoisomers thereof, wherein R.sup.1 is selected from alkyl; alkenyl; alkynyl; haloalkyl; haloalkenyl; and cycloalkyl optionally substituted by alkyl or halogen; R.sup.2 is selected from alkyl; haloalkyl; alkoxy; alkylamino; dialkylamino; halogen; cycloalkyl optionally substituted by halogen or alkyl; and phenyl optionally substituted by alkyl, haloalkyl, halogen or alkoxy; R.sup.3 is selected from hydrogen and halogen; R.sup.4 is the residue of an alcohol of formula R.sup.4 --OH which forms an insecticidal ester when combined with chrysanthemic acid, permethrin acid or cyhalothrin acid; and X is selected from oxygen and sulphur.

  该发明提供了式（I）的新型杀虫杀螨活性嘧啶衍生物及其立体异构体，其中R.sup.1选自烷基；烯基；炔基；卤代烷基；卤代烯基；和环烷基，可选用烷基或卤素取代；R.sup.2选自烷基；卤代烷基；烷氧基；烷基氨基；二烷基氨基；卤素；环烷基，可选用卤素或烷基取代；和苯基，可选用烷基，卤代烷基，卤素或烷氧基取代；R.sup.3选自氢和卤素；R.sup.4是式R.sup.4-OH的残基，当与菊酸、氰戊菊酸或氯氰菊酸结合时形成杀虫酯；X选自氧和硫。
• Pyrimidine derivatives
  申请人：Imperial Chemical Industries PLC

  公开号：US05010200A1

  公开（公告）日：1991-04-23

  This invention provides novel insecticidally and acaricidally active pyrimidine derivatives of formula (I): ##STR1## and stereoisomers thereof, wherein R.sup.1 is selected from alkyl; alkenyl; alkynyl; haloalkyl; haloalkenyl; and cycloalkyl optionally substituted by alkyl or halogen; R.sup.2 is selected from alkyl; haloalkyl; alkoxy; alkylamino; dialkylamino; halogen; cycloalkyl optionally substituted by halogen or alkyl; and phenyl optionally substituted by alkyl, haloalkyl, halogen or alkoxy; R.sup.3 is selected from hydrogen and halogen; R.sup.4 is the residue of an alcohol of formula R.sup.4 -OH which forms an insecticidal ester when combined with chrysanthemic acid, permethrin acid or cyhalothrin acid; and X is selected from oxygen and sulphur.

  该发明提供了以下式(I)的新型杀虫剂和杀螨剂活性的嘧啶衍生物和立体异构体，其中R.sup.1选自烷基；烯基；炔基；卤代烷基；卤代烯基；和环烷基，可选地被烷基或卤素取代；R.sup.2选自烷基；卤代烷基；烷氧基；烷基氨基；二烷基氨基；卤素；环烷基，可选地被卤素或烷基取代；和苯基，可选地被烷基，卤代烷基，卤素或烷氧基取代；R.sup.3选自氢和卤素；R.sup.4是具有以下式R.sup.4-OH的醇的残基，当与菊酸、氯氰菊酸或氰戊菊酸结合时形成杀虫酯；X选自氧和硫。