4-trifluoromethyl-1-(2,6-dichloro-4-hydroxymethylphenyl)-2-pyridone | 115551-98-9

• 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: 4-trifluoromethyl-1-(2,6-dichloro-4-hydroxymethylphenyl)-2-pyridone
• 英文别名: 1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)pyridin-2-one
• CAS: 115551-98-9
• 化学式: C₁₃H₈Cl₂F₃NO₂
• 分子量: 338.113
• InChiKey: PUUAYZVSLBPVQV-UHFFFAOYSA-N

物化性质

• 沸点：
  420.8±45.0 °C(predicted)
• 密度：
  1.583±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-trifluoromethyl-1-(2,6-dichloro-4-hydroxymethylphenyl)-2-pyridone 、 草酸氯化物 在 三乙胺 作用下， 以 二氯甲烷 、 水 、 二甲基亚砜 为溶剂， 生成 4-trifluoromethyl-1-(2,6-dichloro-4-formylphenyl)-2-pyridone
  参考文献：
  名称：

  Phenyl pyridones and insectidal use thereof

  摘要：

  式(I)的化合物##STR1##其中R.sup.1、R.sup.2、R.sup.4和R.sup.5分别独立地选择自氢、卤素、可选地被卤素取代的较低烷基、可选地被卤素取代的较低烷氧基和可选地被卤素取代的较低烯基；R.sup.3是卤素、氨基、单或双(较低烷基)-氨基、可选地被卤素取代的较低烷基、可选地被卤素取代的较低烷氧基和可选地被卤素取代的较低烯基，前提是R.sup.3不是单氯甲基或单溴甲基；R.sup.6是氧或硫；R.sup.7和R.sup.10分别独立地选择自氢、卤素、可选地被卤素取代的较低烷基、可选地被卤素取代的较低烷氧基和可选地被卤素取代的较低硫代烷氧基；R.sup.8是氢、卤素、可选地被取代的较低烷基、可选地被取代的较低烷氧基、可选地被取代的较低硫代烷氧基、氰基、硝基、可选地被取代的肟基、可选地被取代的较低烯基、可选地被取代的芳基氧基、可选地被取代的氨基或S(O)nR.sup.11，其中n为0、1或2，R.sup.11是可选地被取代的较低烷基；R.sup.9是氢，或可选地被卤素取代的较低烷基、可选地被卤素取代的较低烯基或CO.sub.2R.sup.12，其中R.sup.12是可选地被卤素取代的较低烷基；前提是R.sup.1、R.sup.2、R.sup.3、R.sup.4和R.sup.5不全为氢；进一步前提是当R.sup.3为三氟甲基且R.sup.1和R.sup.5为卤素时，R.sup.2和R.sup.4不全为氢，或R.sup.7、R.sup.8、R.sup.9和R.sup.10不包含一到四个卤素或三卤甲基取代基。

  公开号：

  US04866078A1

文献信息

• Phenyl pyrid(-one or-thione) compounds which are intermediates
  申请人：Imperial Chemical Industries PLC

  公开号：US05039807A1

  公开（公告）日：1991-08-13

  A compound of formula (I) ##STR1## wherein R.sup.1, R.sup.2, R.sup.4 and R.sup.5 are independently selected from hydrogen, halogen, lower alkyl optionally substituted by halogen, lower alkoxy optionally substituted by halogen and lower alkenyl optionally substituted by halogen; R.sup.3 is halogen, amino, mono- or di(lower alkyl)-amino, lower alkyl substituted by halogen, lower alkoxy optionally substituted by halogen and lower alkenyl optionally substituted by halogen provided that R.sup.3 is not monochloro or monobromo-methyl; R.sup.6 is oxygen or sulphur; R.sup.7 and R.sup.10 are independently selected from hydrogen, halogen, lower alkyl optionally substituted by halogen, lower alkoxy optionally substituted by halogen, and lower thioalkoxy optionally substituted by halogen; and R.sup.8 is hydrogen, halogen, optionally substituted lower alkyl, optionally substituted lower alkoxy, optionally substituted lower thioalkoxy, cyano, nitro, optionally substituted oximino, optionally substituted lower alkenyl, optionally substituted aryloxy, optionally substituted amino or S(O)nR.sup.11 wherein n is 0, 1 or 2 and R.sup.11 is optionally substituted lower alkyl; R.sup.9 is hydrogen, or lower alkyl optionally substituted by halogen, lower alkenyl optionally substituted by halogen or CO.sub.2 R.sup.12 wherein R.sup.12 is lower alkyl optionally substituted by halogen; provided that R.sup.1, R.sup.2 R.sup.3, R.sup.4 and R.sup.5 are not all hydrogen; and further provided that when R.sup.3 is trifluoromethyl and R.sup.1 and R.sup.5 are halogen, R.sup.2 and R.sup.4 are not both hydrogen, or R.sup.7, R.sup.8, R.sup.9 and R.sup.10 do not comprise from one to four halogen or trihalomethyl substitutents.

  化合物的式(I) ##STR1## 其中R^1、R^2、R^4和R^5独立选择自氢、卤素、低碳基（可选择卤素替代）、低烷氧基（可选择卤素替代）和低烯基（可选择卤素替代）；R^3为卤素、氨基、单（或二）（低）烷基氨基、低碳基（可选择卤素替代）、低烷氧基（可选择卤素替代）和低烯基（可选择卤素替代），但要求R^3不是单氯甲基或单溴甲基；R^6为氧或硫；R^7和R^10独立选择自氢、卤素、低碳基（可选择卤素替代）、低烷氧基（可选择卤素替代）和低硫代烷氧基（可选择卤素替代）；R^8为氢、卤素、可选择替代的低碳基、可选择替代的低烷氧基、可选择替代的低硫代烷氧基、氰基、硝基、可选择替代的肟基、可选择替代的低烯基、可选择替代的芳氧基、可选择替代的氨基或S(O)nR^11，其中n为0、1或2，R^11为可选择替代的低碳基；R^9为氢或可选择卤素替代的低碳基、可选择卤素替代的低烯基或CO2R^12，其中R^12为可选择卤素替代的低碳基；但要求R^1、R^2、R^3、R^4和R^5不全为氢；而且当R^3为三氟甲基且R^1和R^5为卤素时，R^2和R^4不同时为氢，或R^7、R^8、R^9和R^10不包含一到四个卤素或三卤甲基取代基。
• Chemical compounds
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0259048A2

  公开（公告）日：1988-03-09

  A compound of formula (I) wherein R¹, R², R⁴ and R⁵ are independently selected from hydrogen, halogen, lower alkyl optionally substituted by halogen, lower alkoxy optionally substituted by halogen and lower alkenyl optionally substituted by halogen; R³ is halogen, amino, mono- or di(lower alkyl)-amino, lower alkyl substituted by halogen, lower alkoxy optionally substituted by halogen and lower alkenyl optionally substituted by halogen provided that R³ is not monochloro or monobromo-methyl; R⁶ is oxygen or sulphur; R⁷ and R¹⁰ are independently selected from hydrogen, halogen, lower alkyl optionally substituted by halogen, lower alkoxy optionally substituted by halogen, and lower thioalkoxy optionally substituted by halogen; and R⁸ is hydrogen, halogen, optionally substituted lower alkyl, optionally substituted lower alkoxy, optionally substituted lower thioalkoxy, cyano, nitro, optionally substituted oximino, optionally substituted lower alkenyl, optionally substituted aryloxy, optionally substituted amino or S(O)nR¹¹ wherein n is 0, 1 or 2 and R¹¹ is optionally substituted lower alkyl; R⁹ is hydrogen, or lower alkyl optionally substituted by halogen, lower alkenyl optionally substituted by halogen or C0₂R¹² wherein R¹² is lower alkyl optionally substituted by halogen; provided that R¹, R², R³, R⁴ and R⁵ are not all hydrogen: and further provided that when R³ is trifluoromethyl and R¹ and R⁵ are halogen, R² and R⁴ are not both hydrogen, or R⁷, R⁸, R⁹ and R¹⁰ do not comprise from one to four halogen or trihalomethyl substitutents.

  一种式(I)化合物 其中 R¹、R²、R⁴ 和 R⁵ 独立选自氢、卤素、任选被卤素取代的低级烷基、任选被卤素取代的低级烷氧基和任选被卤素取代的低级烯基； R³ 是卤素、氨基、一或二（低级烷基）-氨基、被卤素取代的低级烷基、任选被卤素取代的低级烷氧基和任选被卤素取代的低级烯基，条件是 R³ 不是一氯或一溴甲基； R⁶ 是氧或硫； R⁷ 和 R¹⁰ 独立选自氢、卤素、任选被卤素取代的低级烷基、任选被卤素取代的低级烷氧基和任选被卤素取代的低级硫代烷氧基；以及 R⁸ 是氢、卤素、任选被取代的低级烷基、任选被取代的低级烷氧基、任选被取代的低级硫代烷氧基、氰基、硝基、任选被取代的氧亚氨基、任选被取代的低级烯基、任选被取代的芳氧基、任选被取代的氨基或 S(O)nR¹ 其中 n 是 0、1 或 2，R¹¹ 是任选被取代的低级烷基； R𠞙 是氢、或任选被卤素取代的低级烷基、任选被卤素取代的低级烯基或 C0₂R¹²，其中 R¹² 是任选被卤素取代的低级烷基；但 R¹、R²、R³、R⁴ 和 R⁵ 并非都是氢：以及当 R³ 为三氟甲基且 R¹ 和 R⁵ 为卤素时，R² 和 R⁴ 不同时为氢，或 R⁷、R⁸、R⁹ 和 R¹⁰ 不包含 1 至 4 个卤素或三卤甲基取代基。
• US4866078A
  申请人：——

  公开号：US4866078A

  公开（公告）日：1989-09-12
• US5039807A
  申请人：——

  公开号：US5039807A

  公开（公告）日：1991-08-13
• Phenyl pyridones and insectidal use thereof
  申请人：Imperial Chemical Industries PLC

  公开号：US04866078A1

  公开（公告）日：1989-09-12

  A compound of formula (I) ##STR1## wherein R.sup.1, R.sup.2, R.sup.4 and R.sup.5 are independently selected from hydrogen, halogen, lower alkyl optionally substituted by halogen, lower alkoxy optionally substituted by halogen and lower alkenyl optionally substituted by halogen; R.sup.3 is halogen, amino, mono- or di(lower alkyl)-amino, lower alkyl substituted by halogen, lower alkoxy optionally substituted by halogen and lower alkenyl optionally substituted by halogen provided that R.sup.3 is not monochloro or monobromo-methyl; R.sup.6 is oxygen or sulphur; R.sup.7 and R.sup.10 are independently selected from hydrogen, halogen, lower alkyl optionally substituted by halogen, lower alkoxy optionally substituted by halogen, and lower thioalkoxy optionally substituted by halogen; and R.sup.8 is hydrogen, halogen, optionally substituted lower alkyl, optionally substituted lower alkoxy, optionally substituted lower thioalkoxy, cyano, nitro, optionally substituted oximino, optionally substituted lower alkenyl, optionally substituted aryloxy, optionally substituted amino or S(O)nR.sup.11 wherein n is 0, 1 or 2 and R.sup.11 is optionally substituted lower alkyl; R.sup.9 is hydrogen, or lower alkyl optionally substituted by halogen, lower alkenyl optionally substituted by halogen or CO.sub.2 R.sup.12 wherein R.sup.12 is lower alkyl optionally substituted by halogen; provided that R.sup.1, R.sup.2, R.sup.3, R.sup.4 and R.sup.5 are not all hydrogen; and further provided that when R.sup.3 is trifluoromethyl and R.sup.1 and R.sup.5 are halogen, R.sup.2 and R.sup.4 are not both hydrogen, or R.sup.7, R.sup.8, R.sup.9 and R.sup.10 do not comprise from one to four halogen or trihalomethyl substituents.

  式(I)的化合物##STR1##其中R.sup.1、R.sup.2、R.sup.4和R.sup.5分别独立地选择自氢、卤素、可选地被卤素取代的较低烷基、可选地被卤素取代的较低烷氧基和可选地被卤素取代的较低烯基；R.sup.3是卤素、氨基、单或双(较低烷基)-氨基、可选地被卤素取代的较低烷基、可选地被卤素取代的较低烷氧基和可选地被卤素取代的较低烯基，前提是R.sup.3不是单氯甲基或单溴甲基；R.sup.6是氧或硫；R.sup.7和R.sup.10分别独立地选择自氢、卤素、可选地被卤素取代的较低烷基、可选地被卤素取代的较低烷氧基和可选地被卤素取代的较低硫代烷氧基；R.sup.8是氢、卤素、可选地被取代的较低烷基、可选地被取代的较低烷氧基、可选地被取代的较低硫代烷氧基、氰基、硝基、可选地被取代的肟基、可选地被取代的较低烯基、可选地被取代的芳基氧基、可选地被取代的氨基或S(O)nR.sup.11，其中n为0、1或2，R.sup.11是可选地被取代的较低烷基；R.sup.9是氢，或可选地被卤素取代的较低烷基、可选地被卤素取代的较低烯基或CO.sub.2R.sup.12，其中R.sup.12是可选地被卤素取代的较低烷基；前提是R.sup.1、R.sup.2、R.sup.3、R.sup.4和R.sup.5不全为氢；进一步前提是当R.sup.3为三氟甲基且R.sup.1和R.sup.5为卤素时，R.sup.2和R.sup.4不全为氢，或R.sup.7、R.sup.8、R.sup.9和R.sup.10不包含一到四个卤素或三卤甲基取代基。