1-(2,5-dimethyl-phenyl)-propane-1,2-dione | 856084-92-9

• 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: 1-(2,5-dimethyl-phenyl)-propane-1,2-dione
• 英文别名: 1-(2,5-Dimethyl-phenyl)-propan-1,2-dion；Methyl-(2.5-dimethyl-phenyl)-glyoxal；1.4-Dimethyl-2-pyruvyl-benzol；1-(2,5-Dimethylphenyl)propane-1,2-dione；1-(2,5-dimethylphenyl)propane-1,2-dione
• CAS: 856084-92-9
• 化学式: C₁₁H₁₂O₂
• 分子量: 176.215
• InChiKey: COCWOXMHFNPOOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2,5-dimethyl-phenyl)-propane-1,2-dione 、 乙胺 在 乙醇 作用下， 生成 (1RS:2SR)-2-ethylamino-1-(2.5-dimethyl-phenyl)-propanol-⁽¹⁾
  参考文献：
  名称：

  US1799110

  摘要：

  公开号：
• 作为产物：
  描述：

  1-(2,5-二甲基苯基)-1-丙酮 在 盐酸 、 dinitrogen tetraoxide 、 calcium chloride 作用下， 生成 1-(2,5-dimethyl-phenyl)-propane-1,2-dione
  参考文献：
  名称：

  Coles; Manske; Johnson, Journal of the American Chemical Society, 1929, vol. 51, p. 2271

  摘要：

  DOI：

文献信息

• [EN] FUNGICIDAL OXIMES AND HYDRAZONES<br/>[FR] OXIMES ET HYDRAZONES FONGICIDES
  申请人：DU PONT

  公开号：WO2011146182A1

  公开（公告）日：2011-11-24

  Disclosed are compounds of Formula 1, including all stereoisomers, N-oxides, and salts thereof, wherein E, X, G, W2 and Z are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention. Also disclosed are compounds of Formula 1A including all stereoisomers, N-oxides, and salts thereof, wherein E, X, G and Z1 are as defined in the disclosure. Also disclosed is the use of the compounds of Formula 1A as intermediates for preparing compounds of Formula 1.

  揭示了Formula 1的化合物，包括所有立体异构体、N-氧化物和盐类，其中E、X、G、W2和Z如披露中所定义。还披露了含有Formula 1化合物的组合物以及用于控制由真菌病原体引起的植物疾病的方法，包括施用本发明的化合物或组合物的有效量。还披露了包括所有立体异构体、N-氧化物和盐类的Formula 1A的化合物，其中E、X、G和Z1如披露中所定义。还披露了将Formula 1A的化合物用作制备Formula 1化合物的中间体的用途。
• [EN] FUNGICIDAL HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES FONGICIDES
  申请人：DU PONT

  公开号：WO2014179144A1

  公开（公告）日：2014-11-06

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein E, X, Z1, G, Z2 and Q are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  本发明涉及一种公式1的化合物，包括所有的几何和立体异构体、N-氧化物和盐，其中E、X、Z1、G、Z2和Q如本文所定义。本发明还涉及含有公式1化合物的组合物，以及控制由真菌病原体引起的植物病害的方法，包括施用本发明的化合物或组合物的有效量。
• FUNGICIDAL HETEROCYCLIC COMPOUNDS
  申请人：Liepa Andris Juris

  公开号：US20120309752A1

  公开（公告）日：2012-12-06

  Disclosed are compounds of Formula 1 and Formula 1A including all stereoisomers, N-oxides, and salts thereof, wherein E, Y 1 , Y 2 , Y 3 , G, J, X 1 and X 2 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 or Formula 1A and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention

  公开的是公式1和公式1A的化合物，包括所有立体异构体、N-氧化物和其盐，其中E、Y1、Y2、Y3、G、J、X1和X2如所披露的定义。还公开了含有公式1或公式1A化合物的组合物，以及用于控制由真菌病原体引起的植物病害的方法，包括施用该发明的化合物或组合物的有效量。
• FUNGICIDAL OXIMES AND HYDRAZONES
  申请人：Hanagan Mary Ann

  公开号：US20130030002A1

  公开（公告）日：2013-01-31

  Disclosed are compounds of Formula 1, including all stereoisomers, N-oxides, and salts thereof, wherein E, X, G, W 2 and Z are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention. Also disclosed are compounds of Formula 1A including all stereoisomers, N-oxides, and salts thereof, wherein E, X, G and Z 1 are as defined in the disclosure. Also disclosed is the use of the compounds of Formula 1A as intermediates for preparing compounds of Formula 1.

  本发明涉及公式1的化合物，包括所有立体异构体、N-氧化物和其盐，其中E、X、G、W2和Z如本公开说明书中所定义。还涉及含有公式1化合物的组合物以及控制由真菌病原体引起的植物病害的方法，包括施用本发明化合物或组合物的有效量。还涉及公式1A的化合物，包括所有立体异构体、N-氧化物和其盐，其中E、X、G和Z1如本公开说明书中所定义。还涉及将公式1A的化合物用作制备公式1化合物的中间体的用途。
• FUNGICIDAL AZOCYCLIC AMIDES
  申请人：Hanagan Mary Ann

  公开号：US20130261154A1

  公开（公告）日：2013-10-03

  Disclosed are compounds of Formula 1, including all stereoisomers, N-oxides, and salts thereof, wherein E, X, G, J, Z, and Q are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  本发明揭示了公式1的化合物，包括所有立体异构体，N-氧化物和其盐，其中E，X，G，J，Z和Q的定义如披露所述。本发明还揭示了含有公式1化合物的组合物，并且揭示了控制由真菌病原体引起的植物病害的方法，包括施用本发明的化合物或组合物的有效量。