2-(2,4,6-trimethylphenyl)-5-(tetrahydrofuran-3-yl)cyclohexane-1,3-dione | 1057654-21-3

• 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: 2-(2,4,6-trimethylphenyl)-5-(tetrahydrofuran-3-yl)cyclohexane-1,3-dione
• 英文别名: 3-Hydroxy-5-(oxolan-3-yl)-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
• CAS: 1057654-21-3
• 化学式: C₁₉H₂₄O₃
• 分子量: 300.398
• InChiKey: QAGPYCYCVZEMGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  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：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
• [EN] 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES<br/>[FR] COMPOSÉS DE 2-ARYL-5-HÉTÉROCYCLYL-CYCLOHEXANE-1,3-DIONE ET LEUR UTILISATION EN TANT QU'HERBICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2008110307A1

  公开（公告）日：2008-09-18

  [EN] 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-C₃alkylsulf?nyl or C₁-C₃alkylsulfonyl, or heteroaryl or heteroaryl substituted by C₁-C₃Calkyl, d.Cahaloalkyl, C₁-C₃aIkoxy, 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 R⁶is 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, sulfoni?m, ammonium or a latentiating group, are suitable for use as herbicides.
  [FR] L'invention concerne des composés de cyclohexanedione représentés par la formule (I) dans laquelle R¹ est méthyle, éthyle, n-propyle, iso-propyle, cyclopropyle, halométhyle, haloéthyle, halogène, vinyle, éthynyle, méthoxy, éthoxy, halométhoxy ou haloéthoxy, R² et R³ sont, indépendamment, hydrogène, halogène, C₁-C₆alkyle, C₁-C₆haloalkyle, C₁-C₆alkoxy, C₁-C₆haloalkoxy, C₂-C₆alcényle, C₂-C₆haloalcényle, C₂-C₆alcynyle, C₃-C₆alcényloxy, C₃-C₆haloalcényloxy, C₃-C₆alcynyloxy, C₃-C₆cycloalkyle, C₁-C₆alkylthio, C₁-C₆alkylsulfinyle, C₁-C₆alkylsulfonyle, C₁-C₆alkylsulfonyloxy, C₁-C₆haloalkylsulfonyloxy, cyano, nitro, phényle, phényle substitué par C₁-C₄alkyle, C₁-C₃Cahaloalkyle, C₁-C₃alkoxy, C₁-C₃haloalkoxy, cyano, nitro, halogène, C₁-C₃alkylthio, C₁-C₃alkylsulfinyle ou C₁-C₃alkylsulfonyle, hétéroaryle ou hétéroaryle substitué par C₁-C₃Calkyle, d.Cahaloalkyle, C₁-C₃alkoxy, C₁-C₃haloalkoxy, cyano, nitro, halogène, C₁-C₃alkylthio, C₁-C₃alkylsulfinyle ou C₁-C₃alkylsulfonyle, R⁴ est hydrogène, méthyle, éthyle, n-propyle, iso-propyle, halométhyle, haloéthyle, halogène, vinyle, éthynyle, méthoxy, éthoxy, halométhoxy ou haloéthoxy, X est O, S, S(O) ou S(O)₂, R⁵ est hydrogène ou méthyle, R⁶ est hydrogène, méthyle ou éthyle, ou forme une double liaison qui lie l'atome de carbone auquel R⁶ est attaché avec l'atome de carbone adjacent de R⁷ ou R⁸, R⁷ et R⁸ sont indépendamment C₁-C₅alkylène, qui est non substitué ou substitué par méthyle ou éthyle, ou C₂-C₅alcénylène, qui est non substitué ou substitué par méthyle ou éthyle, et G est hydrogène, un métal alcalin, un métal alcalino-terreux, sulfoni?m, ammonium ou un groupe latent. Lesdits composés sont adaptés pour être utilisés en tant qu'herbicides.