3-oxo-5-(tetrahydrofuran-3-yl)-2-(2,4,6-trimethylphenyl)cyclohex-1-enyl acetate | 1057654-39-3

• 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: 3-oxo-5-(tetrahydrofuran-3-yl)-2-(2,4,6-trimethylphenyl)cyclohex-1-enyl acetate
• 英文别名: [3-oxo-5-(oxolan-3-yl)-2-(2,4,6-trimethylphenyl)cyclohexen-1-yl] acetate
• CAS: 1057654-39-3
• 化学式: C₂₁H₂₆O₄
• 分子量: 342.435
• InChiKey: VTQRPKREEQJFGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(2,4,6-trimethylphenyl)-5-(tetrahydrofuran-3-yl)cyclohexane-1,3-dione 、 乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-oxo-5-(tetrahydrofuran-3-yl)-2-(2,4,6-trimethylphenyl)cyclohex-1-enyl acetate
  参考文献：
  名称：

  WO2008/110307

  摘要：

  公开号：

文献信息

• 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3,DIONE COMPOUNDS AND THEIR USE AS HERBICIDES
  申请人：Mathews Christopher John

  公开号：US20100113270A1

  公开（公告）日：2010-05-06

  Cyclohexanedione compounds of Formula (I) wherein R 1 is methyl, ethyl, n-propyl, iso-propyl, cyclopropyl, halomethyl, haloethyl, halogen, vinyl, ethynyl, methoxy, ethoxy, halomethoxy or haloethoxy, R 2 and R 3 are, independently hydrogen, halogen, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 1 -C 6 alkoxy, C 1 -C 6 haloalkoxy, C 2 -C 6 alkenyl, C 2 -C 6 haloalkenyl, C 2 -C 6 alkynyl, C 3 -C 6 alkenyloxy, C 3 -C 6 haloalkenyloxy, C 3 -C 6 alkynyloxy, C 3 -C 6 cycloalkyl, C 1 -C 6 alkylthio, C 1 -C 6 alkylsulfinyl, C 1 -C 6 alkylsulfonyl, C 1 -C 6 alkylsulfonyloxy, C 1 -C 6 haloalkylsulfonyloxy, cyano, nitro, phenyl, phenyl substituted by C 1 -C 4 alkyl, C 1 -C 3 Cahaloalkyl, C 1 -C 3 alkoxy, C 1 -C 3 haloalkoxy, cyano, nitro, halogen, C 1 -C 3 alkylthio, C 1 -C 3 alkylsulfinyl or C 1 -C 3 alkylsulfonyl, or heteroaryl or heteroaryl substituted by C 1 -C 3 Calkyl, d.Cahaloalkyl, C 1 -C 3 alkoxy, C 1 -C 3 haloalkoxy, cyano, nitro, halogen, C 1 -C 3 alkylthio, C 1 -C 3 alkylsulfinyl or C 1 -C 3 alkylsulfonyl, R 4 is hydrogen, methyl, ethyl, n-propyl, iso-propyl, halomethyl, haloethyl, halogen, vinyl, ethynyl, methoxy, ethoxy, halomethoxy or haloethoxy, X is O, S, S(O) or S(O) 2 , R 5 is hydrogen or methyl, R 6 is hydrogen, methyl or ethyl, or forms a double bond, which links the carbon atom, to which R 6 is attached, with the adjacent carbon atom of R 7 or R 8 , R 7 and R 8 are independently of each other C 1 -C 5 alkylene, which is unsubstituted or substituted by methyl or ethyl, or C 2 -C 5 alkenylene, which is unsubstituted or substituted by methyl or ethyl, and G is hydrogen, an alkali metal, alkaline earth metal, sulfoniυm, ammonium or a latentiating group, are suitable for use as herbicides.

  式（I）中的环己二酮化合物，其中R1是甲基、乙基、正丙基、异丙基、环丙基、卤代甲基、卤代乙基、卤素、乙烯基、乙炔基、甲氧基、乙氧基、卤代甲氧基或卤代乙氧基，R2和R3分别是氢、卤素、C1-C6烷基、C1-C6卤代烷基、C1-C6烷氧基、C1-C6卤代烷氧基、C2-C6烯基、C2-C6卤代烯基、C2-C6炔基、C3-C6烯氧基、C3-C6卤代烯氧基、C3-C6炔氧基、C3-C6环烷基、C1-C6烷基硫、C1-C6烷基亚砜、C1-C6烷基磺酰、C1-C6烷基磺酰氧、C1-C6卤代烷基磺酰氧、氰基、硝基、苯基、被C1-C4烷基、C1-C3卤代烷基、C1-C3烷氧基、C1-C3卤代烷氧基、氰基、硝基、卤素、C1-C3烷基硫、C1-C3烷基亚砜或C1-C3烷基磺酰取代的苯基或杂环芳基或被C1-C3烷基、卤代烷基、C1-C3烷氧基、C1-C3卤代烷氧基、氰基、硝基、卤素、C1-C3烷基硫、C1-C3烷基亚砜或C1-C3烷基磺酰取代的杂环芳基，R4是氢、甲基、乙基、正丙基、异丙基、卤代甲基、卤代乙基、卤素、乙烯基、乙炔基、甲氧基、乙氧基、卤代甲氧基或卤代乙氧基，X是O、S、S（O）或S（O）2，R5是氢或甲基，R6是氢、甲基或乙基，或形成一个双键，将R6附着的碳原子与R7或R8的相邻碳原子连接起来，R7和R8分别是C1-C5烷基，该烷基未取代或被甲基或乙基取代，或C2-C5烯基，该烯基未取代或被甲基或乙基取代，G是氢、碱金属、碱土金属、磺酰基、铵或潜伏基，适用作除草剂。
• 2-aryl-5-heterocyclyl-cyclohexane-1,3,dione compounds and their use as herbicides
  申请人：Mathews Christopher John

  公开号：US08536351B2

  公开（公告）日：2013-09-17

  Cyclohexanedione compounds of Formula (I) wherein R1 is methyl, ethyl, n-propyl, iso-propyl, cyclopropyl, halomethyl, haloethyl, halogen, vinyl, ethynyl, methoxy, ethoxy, halomethoxy or haloethoxy, R2 and R3 are, independently hydrogen, halogen, C1-C6alkyl, C1-C6haloalkyl, C1-C6alkoxy, C1-C6haloalkoxy, C2-C6alkenyl, C2-C6haloalkenyl, C2-C6alkynyl, C3-C6alkenyloxy, C3-C6haloalkenyloxy, C3-C6alkynyloxy, C3-C6cycloalkyl, C1-C6alkylthio, C1-C6alkylsulfinyl, C1-C6alkylsulfonyl, C1-C6alkylsulfonyloxy, C1-C6haloalkylsulfonyloxy, cyano, nitro, phenyl, phenyl substituted by C1-C4alkyl, C1-C3Cahaloalkyl, C1-C3alkoxy, C1-C3haloalkoxy, cyano, nitro, halogen, C1-C3alkylthio, C1-C3alkylsulfinyl or C1-C3alkylsulfonyl, or heteroaryl or heteroaryl substituted by C1-C3Calkyl, d.Cahaloalkyl, C1-C3alkoxy, C1-C3haloalkoxy, cyano, nitro, halogen, C1-C3alkylthio, C1-C3alkylsulfinyl or C1-C3alkylsulfonyl, R4 is hydrogen, methyl, ethyl, n-propyl, iso-propyl, halomethyl, haloethyl, halogen, vinyl, ethynyl, methoxy, ethoxy, halomethoxy or haloethoxy, X is O, S, S(O) or S(O)2, R5 is hydrogen or methyl, R6 is hydrogen, methyl or ethyl, or forms a double bond, which links the carbon atom, to which R6 is attached, with the adjacent carbon atom of R7 or R8, R7 and R8 are independently of each other C1-C5alkylene, which is unsubstituted or substituted by methyl or ethyl, or C2-C5alkenylene, which is unsubstituted or substituted by methyl or ethyl, and G is hydrogen, an alkali metal, alkaline earth metal, sulfoniυm, ammonium or a latentiating group, are suitable for use as herbicides.

  公式（I）中的Cyclohexanedione化合物，其中R1为甲基，乙基，正丙基，异丙基，环丙基，卤代甲基，卤代乙基，卤素，乙烯基，乙炔基，甲氧基，乙氧基，卤代甲氧基或卤代乙氧基，R2和R3分别为氢，卤素，C1-C6烷基，C1-C6卤代烷基，C1-C6烷氧基，C1-C6卤代烷氧基，C2-C6烯基，C2-C6卤代烯基，C2-C6炔基，C3-C6烯氧基，C3-C6卤代烯氧基，C3-C6炔氧基，C3-C6环烷基，C1-C6烷基硫，C1-C6烷基亚砜基，C1-C6烷基磺酰基，C1-C6烷基磺酰氧基，C1-C6卤代烷基磺酰氧基，氰基，硝基，苯基，C1-C4烷基取代的苯基，C1-C3卤代烷基取代的苯基，C1-C3烷氧基取代的苯基，C1-C3卤代烷氧基取代的苯基，氰基，硝基，卤素，C1-C3烷基硫，C1-C3烷基亚砜基或C1-C3烷基磺酰基，或杂环芳基或C1-C3烷基取代的杂环芳基，d.Cahaloalkyl，C1-C3烷氧基，C1-C3卤代烷氧基，氰基，硝基，卤素，C1-C3烷基硫，C1-C3烷基亚砜基或C1-C3烷基磺酰基，R4为氢，甲基，乙基，正丙基，异丙基，卤代甲基，卤代乙基，卤素，乙烯基，乙炔基，甲氧基，乙氧基，卤代甲氧基或卤代乙氧基，X为O，S，S（O）或S（O）2，R5为氢或甲基，R6为氢，甲基或乙基，或形成双键，将R6附着的碳原子与R7或R8的相邻碳原子连接起来，R7和R8分别是未取代或取代为甲基或乙基的C1-C5烷基，或未取代或取代为甲基或乙基的C2-C5烯基，G为氢，碱金属，碱土金属，磺酰基，铵盐或潜伏基，适用于作为除草剂。
• 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES
  申请人：Syngenta Participations AG

  公开号：EP2134699B1

  公开（公告）日：2011-05-11
• Use of 2-Aryl-5-heterocyclyl-cyclohexane-1,3-dione Compounds as Insecticides, Acaricides, and/ or Fungicides
  申请人：Bretschneider Thomas

  公开号：US20110281930A1

  公开（公告）日：2011-11-17

  The present invention relates to the use of compounds of Formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , X and G have the meanings given above as insecticides and/or acaricides and/or fungicides.
• US8536351B2
  申请人：——

  公开号：US8536351B2

  公开（公告）日：2013-09-17