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3-(2,4,6-Trimethylphenyl)bicyclo[3.2.1]octane-2,4-dione

中文名称
——
中文别名
——
英文名称
3-(2,4,6-Trimethylphenyl)bicyclo[3.2.1]octane-2,4-dione
英文别名
3-(2,4,6-trimethylphenyl)bicyclo[3.2.1]octane-2,4-dione
3-(2,4,6-Trimethylphenyl)bicyclo[3.2.1]octane-2,4-dione化学式
CAS
——
化学式
C17H20O2
mdl
——
分子量
256.34
InChiKey
HGZMTJBAQSPWJL-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.3
  • 重原子数:
    19
  • 可旋转键数:
    1
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.53
  • 拓扑面积:
    34.1
  • 氢给体数:
    0
  • 氢受体数:
    2

文献信息

  • [EN] HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF<br/>[FR] COMPOSÉS DIONES CYCLIQUES (ALKYL-PHÉNYL)-SUBSTITUÉS ACTIFS DU POINT DE VUE HERBICIDE ET LEURS DÉRIVÉS
    申请人:SYNGENTA LTD
    公开号:WO2014191535A1
    公开(公告)日:2014-12-04
    The present invention relates to a compound of formula (I): wherein: X is methyl or chlorine; R1 is fluorine or bromine; R2 is ethynyl, C1-C3alkoxy, C1-C3haloalkoxy, or C1-C3alkoxy-C1-C3alkoxy-; and Q is a pyran-3,5-dione-4-yl, a thiopyran-3,5-dione-4-yl, a piperidine-3,5-dione-4-yl, a cyclohexane-1,3,5-trione-2-yl, a cyclohexane-1,3-dione-2-yl, a cycloheptane-1,3-dione-2-yl, in which each cyclic dione is bridged by alkanediyl, or a derivative thereof (e.g. an enol ketone tautomer derivative thereof), wherein Q is further defined herein; and wherein the compound of formula (I) is optionally present as an agrochemically acceptable salt thereof. Preferably, X is methyl; and/or R1 is fluorine; and/or R2 is -O-R2A, wherein R2A is methyl, ethyl, trifluoromethyl, difluoromethyl, trifluoroethyl, or -CH2CH2OCH3. These compounds are suitable for use as herbicides. The invention therefore also relates to a method of controlling weeds, especially grassy monocotyledonous weeds, in crops of useful plants, comprising applying a compound of formula (I), or a herbicidal composition comprising such a compound, to the weeds and/or to the plants and/or to the locus thereof.
    本发明涉及一种化合物,其化学式为(I):其中:X为甲基或;R1为;R2为乙炔基,C1-C3烷氧基,C1-C3卤代烷氧基,或C1-C3烷氧基-C1-C3烷氧基-;Q为喃-3,5-二酮-4-基,喃-3,5-二酮-4-基,哌啶-3,5-二酮-4-基,环己烷-1,3,5-三酮-2-基,环己烷-1,3-二酮-2-基,环庚烷-1,3-二酮-2-基,其中每个环状二酮由烷二基桥接,或其衍生物(例如烯醇酮互变异构体衍生物),Q在此进一步定义;化合物的化学式(I)可作为农药中可接受的盐存在。优选,X为甲基;和/或R1为;和/或R2为-O-R2A,其中R2A为甲基,乙基,三甲基,二甲基,三乙基,或-CH2CH2OCH3。这些化合物适用于作为除草剂使用。因此,本发明还涉及一种控制杂草,特别是草本单子叶杂草,在有用植物作物中的方法,包括将化合物(I)或含有该化合物的除草剂组合物施用于杂草和/或植物和/或其生长环境的方法。
  • HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREFOR, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT
    申请人:Syngenta Limited
    公开号:US20150342185A1
    公开(公告)日:2015-12-03
    The present invention relates to a compound of formula (I), wherein: X is methyl or chlorine; R 1 is methyl or chlorine; R 2 is hydrogen, methyl, ethyl, n-propyl, cyclopropyl, vinyl, ethynyl, fluorine, chlorine, bromine, C 1 -C 3 alkoxy, C 1 -C 2 -fluoroalkoxy, C 1 -C 2 alkoxy-C 1 -C 3 alkoxy- or C 1 fluoroalkoxy-C 1 -C 3 alkoxy-; and Y is O, S, S(O), S(O) 2 , N(C 1 -C 2 alkyl), N(C 1 -C 2 alkoxy), C(O), CR 8 R 9 or —CR 10 R 11 CR 12 R 13 —; and G, R 3 , R 4 , R 5 and R 6 are as defined herein; wherein the compound of formula (I) is optionally present as an agrochemically acceptable salt thereof. These compounds are suitable for use as herbicides. The invention therefore also relates to a method of controlling weeds, especially grassy monocotyledonous weeds, in crops of useful plants, comprising applying a compound of formula (I), or a herbicidal composition comprising such a compound, to the plants or to the locus thereof.
    本发明涉及一种式为(I)的化合物,其中:X为甲基或;R1为甲基或;R2为氢、甲基、乙基、正丙基、环丙基、乙烯基乙炔基、、C1-C3烷氧基、C1-C2氟烷氧基、C1-C2烷氧-C1-C3烷氧基或C1氟烷氧-C1-C3烷氧基;Y为O、S、S(O)、S(O)2、N(C1-C2烷基)、N(C1-C2烷氧基)、C(O)、CR8R9或—CR10R11CR12R13—;以及G、R3、R4、R5和R6的定义;其中,式(I)的化合物可以作为农药可接受的盐存在。这些化合物适用于作为除草剂使用。因此,本发明还涉及一种控制杂草,特别是草本单子叶杂草,在有用植物的作物中的方法,包括将式(I)的化合物或含有这种化合物的除草剂组合物应用于植物或其所在地点。
  • Herbicidally Active (alkynyl-phenyl)-Substituted Cyclic Dione Compounds and Derivatives Thereof
    申请人:SYNGENTA LIMITED
    公开号:US20160143277A1
    公开(公告)日:2016-05-26
    The present invention relates to a compound of formula (I): wherein: X is methyl or chlorine; R 1 is fluorine or bromine; R 2 is ethynyl, C 1 -C 3 alkoxy, C 1 -C 3 haloalkoxy, or C 1 -C 3 alkoxy-C 1 -C 3 alkoxy-; and Q is a pyran-3,5-dione-4-yl, a thiopyran-3,5-dione-4-yl, a piperidine-3,5-dione-4-yl, a cyclohexane-1,3,5-trione-2-yl, a cyclohexane-1,3-dione-2-yl, a cycloheptane-1,3-dione-2-yl, in which each cyclic dione is bridged by alkanediyl, or a derivative thereof (e.g. an enol ketone tautomer derivative thereof), wherein Q is further defined herein; and wherein the compound of formula (I) is optionally present as an agrochemically acceptable salt thereof. Preferably, X is methyl; and/or R 1 is fluorine; and/or R 2 is —O—R 2A , wherein R 2A is methyl, ethyl, trifluoromethyl, difluoromethyl, trifluoroethyl, or —CH 2 CH 2 OCH 3 . These compounds are suitable for use as herbicides. The invention therefore also relates to a method of controlling weeds, especially grassy monocotyledonous weeds, in crops of useful plants, comprising applying a compound of formula (I), or a herbicidal composition comprising such a compound, to the weeds and/or to the plants and/or to the locus thereof.
    本发明涉及一种式(I)的化合物:其中:X为甲基或;R1为;R2为乙炔基,C1-C3烷氧基,C1-C3卤代烷氧基或C1-C3烷氧基-C1-C3烷氧基-;Q为喃-3,5-二酮-4-基,喃-3,5-二酮-4-基,哌啶-3,5-二酮-4-基,环己烷-1,3,5-三酮-2-基,环己烷-1,3-二酮-2-基,环庚烷-1,3-二酮-2-基,其中每个环二酮由烷二基桥接,或其衍生物(例如,烯醇酮互变异构体衍生物),其中Q在此进一步定义;并且式(I)的化合物可以作为农药可接受的盐存在。优选地,X为甲基;和/或R1为;和/或R2为—O—R2A,其中R2A为甲基,乙基,三甲基,二甲基,三乙基,或—CH2CH2OCH3。这些化合物适用于作为除草剂使用。因此,本发明还涉及一种控制杂草,特别是草本单子叶杂草,在有用植物的作物中的方法,包括将式(I)的化合物或包含这种化合物的除草剂组合物应用于杂草和/或植物和/或其生长地点。
  • Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof
    申请人:Syngenta Limited
    公开号:US10590143B2
    公开(公告)日:2020-03-17
    The present invention relates to a compound of formula (I): wherein: X is methyl or chlorine; R1 is fluorine or bromine; R2 is ethynyl, C1-C3alkoxy, C1-C3haloalkoxy, or C1-C3alkoxy-C1-C3alkoxy-; and Q is a pyran-3,5-dione-4-yl, a thiopyran-3,5-dione-4-yl, a piperidine-3,5-dione-4-yl, a cyclohexane-1,3,5-trione-2-yl, a cyclohexane-1,3-dione-2-yl, a cycloheptane-1,3-dione-2-yl, in which each cyclic dione is bridged by alkanediyl, or a derivative thereof (e.g. an enol ketone tautomer derivative thereof), wherein Q is further defined herein; and wherein the compound of formula (I) is optionally present as an agrochemically acceptable salt thereof. Preferably, X is methyl; and/or R1 is fluorine; and/or R2 is —O—R2A, wherein R2A is methyl, ethyl, trifluoromethyl, difluoromethyl, trifluoroethyl, or —CH2CH2OCH3. These compounds are suitable for use as herbicides. The invention therefore also relates to a method of controlling weeds, especially grassy monocotyledonous weeds, in crops of useful plants, comprising applying a compound of formula (I), or a herbicidal composition comprising such a compound, to the weeds and/or to the plants and/or to the locus thereof.
    本发明涉及一种式(I)化合物: 其中:X 是甲基或;R1 是;R2 是乙炔基、C1-C3-烷氧基、C1-C3-卤代烷氧基或 C1-C3 烷氧基-C1-C3-烷氧基;Q是喃-3,5-二酮-4-基、噻喃-3,5-二酮-4-基、哌啶-3,5-二酮-4-基、环己烷-1,3,5-三酮-2-基、环己烷-1,3-二酮-2-基、环庚烷-1,3-二酮-2-基,其中每个环二酮都以烷二基桥接,或其衍生物(如烯醇酮-2-基)。例如,烯醇酮同系物衍生物),其中 Q 在本文中进一步定义;式 (I) 化合物任选以其农用化学品可接受盐的形式存在。优选地,X 是甲基;和/或 R1 是;和/或 R2 是 -O-R2A,其中 R2A 是甲基、乙基、三甲基、二甲基、三乙基或 -CH2CH2OCH3。这些化合物适合用作除草剂。因此,本发明还涉及一种控制有用植物作物中杂草,特别是禾本科单子叶杂草的方法,包括对杂草和/或植物和/或其所在地施用式(I)化合物或包含这种化合物的除草组合物。
  • HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF
    申请人:Syngenta Limited
    公开号:EP3004052B1
    公开(公告)日:2018-04-18
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