methyl 2-chloro-3-ethenyl-4-methylsulfonylbenzoate | 345907-79-1

• 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: methyl 2-chloro-3-ethenyl-4-methylsulfonylbenzoate
• CAS: 345907-79-1
• 化学式: C₁₁H₁₁ClO₄S
• 分子量: 274.725
• InChiKey: RXEPNBWBZXHMIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  硝基乙烷 、 methyl 2-chloro-3-ethenyl-4-methylsulfonylbenzoate 在 4-二甲氨基吡啶 、 二碳酸二叔丁酯 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以82%的产率得到methyl 2-chloro-3-(3-methyl-4,5-dihydroisoxazol-5-yl)-4-methylsulfonylbenzoate
  参考文献：
  名称：

  3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides

  摘要：

  该发明涉及通式（I）的3-(4,5-二氢异噁唑-5-基)苯甲酰环己烯酮，其中变量具有以下含义：R1，R2代表氢、硝基、卤素、氰基、烷基、卤代烷基、烷氧基、卤代烷氧基、烷硫基、卤代烷硫基、烷基磺酰基、卤代烷基磺酰基或C1-C6卤代烷基磺酰基；R3代表氢、卤素或烷基；R4代表氢或烷基；R5，R6代表氢、卤素、氰基、硝基、烷基、烷氧基、烷硫基、二烷基氨基、苯基、苄基或羰基，其中最后7个残基可以被取代；R11代表在2位连接的可选择取代的环己烯酮，在1位携带一个羟基残基或其衍生物。该发明还涉及其农业上有用的盐，生产3-(4,5-二氢异噁唑-5-基)苯甲酰环己烯酮的方法，含有该创新化合物的药剂，以及用于控制不受欢迎植物的衍生物或含有它们的药剂的用途。

  公开号：

  US20030199699A1

文献信息

• 3-(4,5-dihydroisoxazol-5-yl)benzoylpyrazole
  申请人：——

  公开号：US20030100590A1

  公开（公告）日：2003-05-29

  1 The invention relates to 3-(4,5-dihydroisoxazole-5-yl)benzoylpyrazole of the formula (I), wherein the variables have the following meanings: R 1 , R 1 represent hydrogen, nitro, halogen, cyano, alkyl, halogenalkyl, alkoxy, halogenalkoxy, alkylthio, halogenalkylthio, alkylsulfinyl, halogenalkylsulfinyl, alkylsulfonyl or halogenalkylsulfonyl; hydrogen, R 3 represents halogen or alkyl; R 4 represents hydrogen or alkyl; R 5 , R 6 represent hydrogen, halogen, cyano, nitro, alkyl, alkoxy, alkylthio, dialkylamino, phenyl R 3 or carbonyl, wherein the latter six groups can be substituted; R 7 represents halogen, cyano, hydroxy, alkyl, halogenalkyl, alkoxy, halogenalkoxy, alkylthio, halogenalkylthio, alkylsulfinyl, halogenalkylsulfinyl, alkylsulfonyl, halogenalkylsulfonyl, amino, alkylamino, dialkylamino, dialkoxymethyl, hydroxyiminoalkyl, alkoxyiminoalkyl or optionally substituted carbonyl; R 11 represents optionally substituted pyrazole that is bound in the 4 position and that carries a hydroxy group or a derivative thereof in the 5 position. The invention also relates to the agriculturally useful salts thereof, to methods and to intermediate products for preparing the 3-(4,5-dihydroisoxazole-5-yl)benzoylpyrazole, to agents containing them and to the use of said derivatives or the agents containing them for combatting undesired plants.

  本发明涉及式（I）的3-（4,5-二氢异噁唑-5-基）苯甲酰吡唑，其中变量具有以下含义：R1，R1代表氢，硝基，卤素，氰基，烷基，卤代烷基，烷氧基，卤代烷氧基，烷硫基，卤代烷硫基，烷基亚磺酰基，卤代烷基亚磺酰基，烷基磺酰基或卤代烷基磺酰基; 氢，R3代表卤素或烷基; R4代表氢或烷基; R5，R6代表氢，卤素，氰基，硝基，烷基，烷氧基，烷硫基，二烷基氨基，苯基R3或羰基，其中后六个基团可以被取代; R7代表卤素，氰基，羟基，烷基，卤代烷基，烷氧基，卤代烷氧基，烷硫基，卤代烷硫基，烷基亚磺酰基，卤代烷基亚磺酰基，烷基磺酰基，卤代烷基磺酰基，氨基，烷基氨基，二烷基氨基，二烷氧甲基，羟基亚氨基烷基，烷氧基亚氨基烷基或可选取代的羰基; R11代表在4位上结合的可选取代的吡唑，并在5位上携带羟基或其衍生物的吡唑。本发明还涉及其在农业上有用的盐，制备3-（4,5-二氢异噁唑-5-基）苯甲酰吡唑的方法和中间体，含有它们的制剂以及使用该衍生物或含有它们的制剂来对抗不良植物的用途。
• 3-(4,5-Dihydroisoxazol-5-yl)benzoylcyclohexenones and the use thereof as herbicides
  申请人：BASF Aktiengesellschaft

  公开号：US06645919B1

  公开（公告）日：2003-11-11

  3-(4,5-Dihydroisoxazol-5-yl)benzoylcyclohexenones of the formula I in which the variables have the following meanings: R1, R2 are hydrogen, nitro, halogen, cyano, alkyl, haloalkyl, alkoxy, haloalkoxy, alkylthio, haloalkylthio, alkylsulfinyl, haloalkylsulfinyl, alkylsulfonyl or C1-C6-haloalkylsulfonyl; R3 is hydrogen, halogen or alkyl; R4 is hydrogen or alkyl; R5, R6 are hydrogen, halogen, cyano, nitro, alkyl, alkoxy, alkylthio, dialkylamino, phenyl, benzyl or carbonyl, it being possible for the 7 last-mentioned radicals to be substituted; R11 is unsubstituted or substituted cyclohexenone which is linked in position 2 and has attached to it in position 1 a hydroxyl radical or derivatives thereof; and their agriculturally useful salts, processes for the preparation of the 3-(4,5-dihydroisoxazol-5-yl)benzoylcyclohexenones, compositions comprising them, and the use of these derivatives or of compositions comprising them for controlling undesired plants.

  公式I中，变量具有以下含义：R1，R2为氢，硝基，卤素，氰基，烷基，卤代烷基，烷氧基，卤代烷氧基，烷硫基，卤代烷硫基，烷基磺酰基，卤代烷基磺酰基，烷基磺酸基或C1-C6卤代烷基磺酸基；R3为氢，卤素或烷基；R4为氢或烷基；R5，R6为氢，卤素，氰基，硝基，烷基，烷氧基，烷硫基，二烷基氨基，苯基，苄基或羰基，其中后7个基团可能被取代；R11是未取代或取代的环己烯酮，在位置2上连接，并在位置1上连接一个羟基基团或其衍生物；以及它们的农业上有用的盐，制备3-(4,5-二氢异噁唑-5-基)苯甲酰环己烯酮的过程，包含它们的组合物，以及使用这些衍生物或包含它们的组合物来控制不受欢迎的植物的用途。
• US6645919B1
  申请人：——

  公开号：US6645919B1

  公开（公告）日：2003-11-11
• US7151075B2
  申请人：——

  公开号：US7151075B2

  公开（公告）日：2006-12-19
• 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides
  申请人：——

  公开号：US20030199699A1

  公开（公告）日：2003-10-23

  The invention relates to 3-(4,5-dihydroisoxazole-5-yl)benzoylcyclohexenones of the general formula (I), wherein the variables have the following meanings: R 1 , R 2 represents hydrogen, nitro, halogen, cyano, alkyl, haloalkyl, alkoxy, haloalkoxy, alkylthio, haloalkylthio, alkylsulfinyl, haloalkylsulfinyl, alkysulfonyl or C 1 -C 6 haloalkylsulfonyl; R 3 represents hydrogen, halogen or alkyl; R 4 represents hydrogen or alkyl; R 5 , R 6 represents hydrogen, halogen, cyano, nitro, alkyl, alkoxy, alkylthio, dialkylamino, phenyl, benzyl or carbonyl, wherein the 7 last residues can be substituted; R 11 represents optionally substituted cyclohexenone that is linked in the 2 position and that carries a hydroxy residue or derivatives thereof in the 1 position. The invention further relates to the agriculturally useful salts thereof, to methods for producing the 3-(4,5-dihydroisoxazole-5-yl)benzoylcyclohexenones, to agents that contain the inventive compound, and to the use of said derivatives or agents containing them for controlling undesired plants.

  该发明涉及通式（I）的3-(4,5-二氢异噁唑-5-基)苯甲酰环己烯酮，其中变量具有以下含义：R1，R2代表氢、硝基、卤素、氰基、烷基、卤代烷基、烷氧基、卤代烷氧基、烷硫基、卤代烷硫基、烷基磺酰基、卤代烷基磺酰基或C1-C6卤代烷基磺酰基；R3代表氢、卤素或烷基；R4代表氢或烷基；R5，R6代表氢、卤素、氰基、硝基、烷基、烷氧基、烷硫基、二烷基氨基、苯基、苄基或羰基，其中最后7个残基可以被取代；R11代表在2位连接的可选择取代的环己烯酮，在1位携带一个羟基残基或其衍生物。该发明还涉及其农业上有用的盐，生产3-(4,5-二氢异噁唑-5-基)苯甲酰环己烯酮的方法，含有该创新化合物的药剂，以及用于控制不受欢迎植物的衍生物或含有它们的药剂的用途。