2-(2,4-二氟苯基)-4,5,6,7-四氢异吲哚-1,3-二酮 | 59280-74-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 中文名称: 2-(2,4-二氟苯基)-4,5,6,7-四氢异吲哚-1,3-二酮
• 英文名称: 2-(2,4-difluorphenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione
• 英文别名: 2-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione；2-(2,4-Difluorophenyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione；2-(2,4-difluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
• CAS: 59280-74-9
• 化学式: C₁₄H₁₁F₂NO₂
• 分子量: 263.244
• InChiKey: DODFZBDJCUPNHT-UHFFFAOYSA-N

物化性质

• 沸点：
  387.2±32.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2925190090

反应信息

• 作为反应物：
  描述：

  2-(2,4-二氟苯基)-4,5,6,7-四氢异吲哚-1,3-二酮 在 硫酸 、 硝酸 、 铁粉 、 sodium hydride 、 溶剂黄146 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.25h， 生成 7-fluoro-6-(3,4,5,6-tetrahydro)phthalimido-1,4-benzoxazine-3(4H)one
  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：

  3,4,5,6-四氢苯酐 、 2,4-二氟苯胺 在 ice 、 甲醇 作用下， 以 溶剂黄146 为溶剂， 反应 21.0h， 以to yield 5 parts off-white crystals of 2-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione melting at 73°-74°C.的产率得到2-(2,4-二氟苯基)-4,5,6,7-四氢异吲哚-1,3-二酮
  参考文献：
  名称：

  Herbicidal

  摘要：

  本发明涉及除草的2-氟-4-卤代苯基-4,5,6,7-四氢-2H-异吲哚-1,3-二酮。这些化合物可用于在某些作物中选择性地控制杂草或进行全面的植被控制。

  公开号：

  US04001272A1

文献信息

• US3992189A
  申请人：——

  公开号：US3992189A

  公开（公告）日：1976-11-16
• US4001272A
  申请人：——

  公开号：US4001272A

  公开（公告）日：1977-01-04
• US4032326A
  申请人：——

  公开号：US4032326A

  公开（公告）日：1977-06-28
• 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.
• Herbicidal
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04001272A1

  公开（公告）日：1977-01-04

  This invention relates to herbicidal 2-fluoro-4-halo-phenyl-4,5,6,7-tetrahydro-2H-isoindole-1,3-diones. These compounds may be used for selective weed control in certain crops or for total vegetation control.

  该发明涉及除草剂2-氟-4-卤代苯基-4,5,6,7-四氢-2H-异吲哚-1,3-二酮。这些化合物可用于在特定作物中选择性地控制杂草，或用于全面植被控制。