4-Hydroxyiminomethyl-2-methoxyphenyl trifluoromethane sulfonate | 864725-34-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-Hydroxyiminomethyl-2-methoxyphenyl trifluoromethane sulfonate
• 英文别名: [4-(hydroxyiminomethyl)-2-methoxyphenyl] trifluoromethanesulfonate
• CAS: 864725-34-8
• 化学式: C₉H₈F₃NO₅S
• 分子量: 299.23
• InChiKey: PYAMFUHEUVEWPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  93.6
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4-Hydroxyiminomethyl-2-methoxyphenyl trifluoromethane sulfonate 、 N-氯代丁二酰亚胺 、 1,3-二氯-5-(3,3,3-三氟丙-1-烯-2-基)苯 、 三乙胺 在 乙酸乙酯 、 magnesium sulfate 、 silica gel 作用下， 以 N,N-二甲基甲酰胺 、 ice water 为溶剂， 反应 2.0h， 以1.4 g of the aimed product was obtained as colorless resinous substance的产率得到4-[5-(3,5-Dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-methoxyphen yl trifluoromethane sulfonate
  参考文献：
  名称：

  Isoxazoline-substituted benzamide compound and pesticide

  摘要：

  化合物的化学式为（4）的取代烯丙基苯化合物：其中X1选自卤素原子，—SF5，C1-C6卤代烷基，羟基C1-C6卤代烷基，C1-C6烷氧基C1-C6卤代烷基，C3-C8卤代环烷基，C1-C6卤代烷氧基，C1-C3卤代烷氧基C1-C3卤代烷氧基，C1-C6卤代烷基硫，C1-C6卤代烷基亚砜和C1-C6卤代烷基磺酰基；X3选自氢原子，卤素原子，氰基，硝基，C1-C6烷基，C1-C6卤代烷基，C1-C6烷氧基和C1-C6烷基硫；X4选自氢原子，卤素原子，氰基，C1-C4烷基，C1-C4烷氧基和C1-C4卤代烷氧基；R3为—C（R3a）（R3b）R3c，其中R3a和R3b独立地选自卤素原子，或者R3a和R3b一起形成3-至6成员环，通过形成C2-C5卤代烷基链与连接它们的碳原子结合，而R3c选自氢原子，卤素原子，C1-C5烷基，C1-C5卤代烷基，C1-C4卤代烷氧基和C1-C4卤代烷基硫，但是如果X1是氟原子，氯原子或三氟甲基，且X2和X3都是氢原子，在X1和X2都是氟原子且X3是氢原子，在X1和X2都是三氟甲基且X3是氢原子的情况下，R3c为氢原子，氯原子，溴原子，碘原子，C1-C5烷基，C1-C5卤代烷基，C1-C4卤代烷氧基或C1-C4卤代烷基硫。

  公开号：

  US08946492B2

文献信息

• Isoxazoline-substituted benzamide compound and pesticide
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US08946492B2

  公开（公告）日：2015-02-03

  A substituted alkenylbenzene compound of formula (4): wherein X1 is selected from the group consisting of a halogen atom, —SF5, C1-C6haloalkyl, hydroxy C1-C6haloalkyl, C1-C6alkoxy C1-C6haloalkyl, C3-C8halocycloalkyl, C1-C6haloalkoxy, C1-C3haloalkoxy C1-C3haloalkoxy, C1-C6haloalkylthio, C1-C6haloalkylsulfinyl and C1-C6haloalkylsulfonyl; X3 is selected from the group consisting of a hydrogen atom, halogen atom, cyano, nitro, C1-C6alkyl, C1-C6haloalkyl, C1-C6alkoxy and C1-C6alkylthio; X4 is selected from the group consisting of a hydrogen atom, halogen atom, cyano, C1-C4alkyl, C1-C4alkoxy and C1-C4haloalkoxy; R3 is —C(R3a)(R3b)R3c, where R3a and R3b independently of each other are a halogen atom, or R3a and R3b together form 3- to 6-membered ring together with the carbon atom bonding them by forming a C2-C5haloalkylene chain, and R3c is selected from the group consisting of a hydrogen atom, halogen atom, C1-C5alkyl, C1-C5haloalkyl, C1-C4haloalkoxy and C1-C4haloalkylthio, with a proviso that in case where X1 is a fluorine atom, chlorine atom or trifluoromethyl, and both X2 and X3 are a hydrogen atom, in case where both X1 and X2 are fluorine atom and X3 is a hydrogen atom, and in case where both X1 and X2 are trifluoromethyl and X3 is a hydrogen atom, R3c is a hydrogen atom, chlorine atom, bromine atom, iodine atom, C1-C5alkyl, C1-C5haloalkyl, C1-C4haloalkoxy or C1-C4haloalkylthio.

  化合物的化学式为（4）的取代烯丙基苯化合物：其中X1选自卤素原子，—SF5，C1-C6卤代烷基，羟基C1-C6卤代烷基，C1-C6烷氧基C1-C6卤代烷基，C3-C8卤代环烷基，C1-C6卤代烷氧基，C1-C3卤代烷氧基C1-C3卤代烷氧基，C1-C6卤代烷基硫，C1-C6卤代烷基亚砜和C1-C6卤代烷基磺酰基；X3选自氢原子，卤素原子，氰基，硝基，C1-C6烷基，C1-C6卤代烷基，C1-C6烷氧基和C1-C6烷基硫；X4选自氢原子，卤素原子，氰基，C1-C4烷基，C1-C4烷氧基和C1-C4卤代烷氧基；R3为—C（R3a）（R3b）R3c，其中R3a和R3b独立地选自卤素原子，或者R3a和R3b一起形成3-至6成员环，通过形成C2-C5卤代烷基链与连接它们的碳原子结合，而R3c选自氢原子，卤素原子，C1-C5烷基，C1-C5卤代烷基，C1-C4卤代烷氧基和C1-C4卤代烷基硫，但是如果X1是氟原子，氯原子或三氟甲基，且X2和X3都是氢原子，在X1和X2都是氟原子且X3是氢原子，在X1和X2都是三氟甲基且X3是氢原子的情况下，R3c为氢原子，氯原子，溴原子，碘原子，C1-C5烷基，C1-C5卤代烷基，C1-C4卤代烷氧基或C1-C4卤代烷基硫。