2-[2,4-difluoro-5-nitrophenyl]-4-methyl-1,2,4-triazine-3,5(2H,4H)dione | 117284-90-9

• 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: 2-[2,4-difluoro-5-nitrophenyl]-4-methyl-1,2,4-triazine-3,5(2H,4H)dione
• 英文别名: 2-(2,4-Difluoro-5-nitrophenyl)-4-methyl-1,2,4-triazine-3,5-dione
• CAS: 117284-90-9
• 化学式: C₁₀H₆F₂N₄O₄
• 分子量: 284.179
• InChiKey: MTCSSLONZKAJGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  20
• 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：
  98.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[2,4-difluoro-5-nitrophenyl]-4-methyl-1,2,4-triazine-3,5(2H,4H)dione 在 TEA 、 铁粉 、 sodium hydride 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 生成 2-[7-fluoro-2-methyl-3-oxo-4-(2-propynyl)-1,2,3,4-tetrahydro-6-quinoxalinyl]-4-methyl-1,2,4-triazine-3,5(2H,4H)-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]-4-methyl-1,-2,4-triazine-3,5(2H,4H)-dione 在 硫酸 、 硝酸 作用下， 反应 0.25h， 生成 2-[2,4-difluoro-5-nitrophenyl]-4-methyl-1,2,4-triazine-3,5(2H,4H)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

文献信息

• US4755217A
  申请人：——

  公开号：US4755217A

  公开（公告）日：1988-07-05
• [EN] TRIAZINEDIONE HERBICIDES
  申请人：FMC CORPORATION

  公开号：WO1988005263A1

  公开（公告）日：1988-07-28

  (EN) Herbicidal compounds of formula (I) or (II), in which R1 is H, alkyl, alkenyl, alkynyl, haloalkyl, haloalkenyl, haloalkynyl, alkoxyalkyl, alkoxyalkoxyalkyl, alkylsulfonyl, aralkyl, alkylthioalkyl, hydroxy or alkoxy; R2 and R3 are independently H or alkyl; X is H, Cl or F; R4 is alkyl, haloalkyl, alkenyl or alkynyl.(FR) Composés herbicides de formule (I) ou (II), dans laquelle R1 représente un hydrogène, un alcoyle, un alkényle, un alkynyle, un haloalcoyle, un haloalkényle, un haloalkynyle, un alcoxyalcoyle, un alcoxyalcoxyalcoyle, un alcoylsulfonyle, un aralkyle, un alkylthioalkyle, un hydroxy, un alcoxy; R2 et R3 sont indépendamment un hydrogène ou un alcoyle; X est un hydrogène, un chlore ou un fluor; R4 est un alcoyle, un haloalcoyle, un alkényle ou un alkynyle.
• 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.