2-[2,4-difluorophenyl]-4-methyl-1,-2,4-triazine-3,5(2H,4H)-dione | 117284-89-6

• 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: 2-[2,4-difluorophenyl]-4-methyl-1,-2,4-triazine-3,5(2H,4H)-dione
• 英文别名: 2-[2,4-difluorophenyl]-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione；2-(2,4-Difluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione
• CAS: 117284-89-6
• 化学式: C₁₀H₇F₂N₃O₂
• 分子量: 239.181
• InChiKey: AWANAGURKXROOH-UHFFFAOYSA-N

物化性质

• 沸点：
  308.6±52.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  53
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[2,4-difluorophenyl]-4-methyl-1,-2,4-triazine-3,5(2H,4H)-dione 在 N-羟基丁二酰亚胺 、 硫酸 、 硝酸 、 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 2.0h， 生成 2-(6-Fluoro-2-oxo-3-propyl-2,3-dihydro-benzooxazol-5-yl)-4-methyl-2H-[1,2,4]triazine-3,5-dione
  参考文献：
  名称：

  Structural replacements for the benzoxazinone protox inhibitors

  摘要：

  Substituted benzoxazinones are a class of highly active inhibitors of protoporphyrinogen oxidase (protox) which are effective at controlling grass and broadleaf weeds at low rates, As part of the process of optimization of the herbicidal activity of the 6-heterocyclic benzoxazinones, a number of replacements were prepared for the oxazinone ring. Quantitative structure-activity relationships (QSAR) were developed for the benzoxazinone replacements using molecular properties, and these were compared to published QSAR for the acyclic 2,4,5-trisubstituted arylheterocyclic protox inhibitors. That the molecular properties of the acyclic and bicyclic protox inhibitors are similar suggest they may be interacting with the same binding site. (C) 1999 Society of Chemical Industry.

  DOI：

  10.1002/(sici)1096-9063(199903)55:3<281::aid-ps930>3.0.co;2-g
• 作为产物：
  描述：

  2-[2,4-difluorophenyl]-1,2,4-triazine-3,5(2H,4H)-dione 、 甲烷 、 碘甲烷 在 NaH 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[2,4-difluorophenyl]-4-methyl-1,-2,4-triazine-3,5(2H,4H)-dione
  参考文献：
  名称：

  Triazinedione herbicides

  摘要：

  公式##STR1##中的除草化合物，其中R.sup.1为H，烷基，烯基，炔基，卤代烷基，卤代烯基，卤代炔基，烷氧基烷基，烷氧基烷氧基烷基，烷基磺酰基，芳基烷基，烷基硫基烷基，羟基或烷氧基；R.sup.2和R.sup.3独立地为H或烷基；X为H，Cl或F；R.sup.4为烷基，卤代烷基，烯基或炔基。

  公开号：

  US04755217A1

文献信息

• US4755217A
  申请人：——

  公开号：US4755217A

  公开（公告）日：1988-07-05
• Structural replacements for the benzoxazinone protox inhibitors
  作者：John W Lyga、Jun H Chang、George Theodoridis、Jonathan S Baum

  DOI：10.1002/(sici)1096-9063(199903)55:3<281::aid-ps930>3.0.co;2-g

  日期：1999.3

  Substituted benzoxazinones are a class of highly active inhibitors of protoporphyrinogen oxidase (protox) which are effective at controlling grass and broadleaf weeds at low rates, As part of the process of optimization of the herbicidal activity of the 6-heterocyclic benzoxazinones, a number of replacements were prepared for the oxazinone ring. Quantitative structure-activity relationships (QSAR) were developed for the benzoxazinone replacements using molecular properties, and these were compared to published QSAR for the acyclic 2,4,5-trisubstituted arylheterocyclic protox inhibitors. That the molecular properties of the acyclic and bicyclic protox inhibitors are similar suggest they may be interacting with the same binding site. (C) 1999 Society of Chemical Industry.
• Triazinedione herbicides
  申请人：FMC Corporation

  公开号：US04755217A1

  公开（公告）日：1988-07-05

  Herbicidal compounds of the formula ##STR1## in which R.sup.1 is H, alkyl, alkenyl, alkynyl, haloalkyl, haloalkenyl, haloalkynyl, alkoxyalkyl, alkoxyalkoxyalkyl, alkylsulfonyl, aralkyl, alkylthioalkyl, hydroxy or alkoxy; R.sup.2 and R.sup.3 are independently H or alkyl; X is H, Cl or F; R.sup.4 is alkyl, haloalkyl, alkenyl or alklynyl.

  公式##STR1##中的除草化合物，其中R.sup.1为H，烷基，烯基，炔基，卤代烷基，卤代烯基，卤代炔基，烷氧基烷基，烷氧基烷氧基烷基，烷基磺酰基，芳基烷基，烷基硫基烷基，羟基或烷氧基；R.sup.2和R.sup.3独立地为H或烷基；X为H，Cl或F；R.sup.4为烷基，卤代烷基，烯基或炔基。