3-hydroxy-5-mesitylcyclohex-2-en-1-one | 87821-74-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-hydroxy-5-mesitylcyclohex-2-en-1-one
• 英文别名: 3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
• CAS: 87821-74-7
• 化学式: C₁₅H₁₈O₂
• 分子量: 230.307
• InChiKey: PJOPLUVTUPVUAO-UHFFFAOYSA-N

物化性质

• 熔点：
  165 °C
• 沸点：
  380.6±42.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-hydroxy-5-mesitylcyclohex-2-en-1-one 在 丙酸 作用下， 以 丙酸酐 为溶剂， 以77%的产率得到3-hydroxy-5-(2,4,6-trimethylphenyl)-2-propionyl-cyclohex-2-en-1-one
  参考文献：
  名称：

  Herbicidal cyclohexane-1,3-dione derivatives

  摘要：

  该发明涉及公式I的新化合物 其中R.sup.1从氢、烷基、烯烃基、炔烃基、取代烷基、酰基、烷基磺酰基、苯基磺酰基、取代苯基磺酰基以及无机或有机阳离子中选择；R.sup.2从烷基、烯烃基、炔烃基、取代烷基、卤代烯烃基和卤代炔烃基中选择；R.sup.3从烷基、氟代烷基、烯烃基、炔烃基和苯基中选择；n是从2到5选择的整数。这些化合物是谷类选择性除草剂，该发明的进一步实施提供了制备公式I化合物的方法，制备公式I化合物有用的中间体，含有公式I化合物作为活性成分的除草剂组合物，以及通过向植物或植物生长介质施加公式I化合物的有效量来严重损害或杀死不需要的植物的方法。

  公开号：

  US04717418A1
• 作为产物：
  描述：

  2,4,6-三甲基苯甲醛 在 四氯化钛 、 三乙胺 、 sodium t-butanolate 作用下， 以 1,2-二氯乙烷 、 乙腈 为溶剂， 反应 13.0h， 生成 3-hydroxy-5-mesitylcyclohex-2-en-1-one
  参考文献：
  名称：

  CN116041156

  摘要：

  公开号：

文献信息

• Herbicidal cyclohexane-1,3-dione derivatives
  申请人：ICI Australia Limited

  公开号：US04717418A1

  公开（公告）日：1988-01-05

  The invention concerns novel compounds of the formula I ##STR1## wherein R.sup.1 is selected from hydrogen, alkyl, alkenyl, alkynyl, substituted alkyl, acyl, alkylsulfonyl, benzenesulfonyl, substituted benzenesulfonyl, and an inorganic or organic cation; R.sup.2 is selected from alkyl, alkenyl, alkynyl, substituted alkyl, haloalkenyl and haloalkynyl; R.sup.3 is selected from alkyl, fluoroalkyl, alkenyl, alkynyl and phenyl; and n is an integer chosen from 2 to 5. The compounds are cereal selective herbicides and in further embodiments of the invention provides processes for the preparation of compounds of formula I, intermediates useful in the preparation of compounds of formula I, herbicidal compositions containing as active ingredient a compound of formula I, and processes for severely damaging or killing unwanted plants by applying to the plants or to the growth medium of the plants an effective amount of a compound of formula I.

  该发明涉及公式I的新化合物 其中R.sup.1从氢、烷基、烯烃基、炔烃基、取代烷基、酰基、烷基磺酰基、苯基磺酰基、取代苯基磺酰基以及无机或有机阳离子中选择；R.sup.2从烷基、烯烃基、炔烃基、取代烷基、卤代烯烃基和卤代炔烃基中选择；R.sup.3从烷基、氟代烷基、烯烃基、炔烃基和苯基中选择；n是从2到5选择的整数。这些化合物是谷类选择性除草剂，该发明的进一步实施提供了制备公式I化合物的方法，制备公式I化合物有用的中间体，含有公式I化合物作为活性成分的除草剂组合物，以及通过向植物或植物生长介质施加公式I化合物的有效量来严重损害或杀死不需要的植物的方法。
• Herbicidal 5-(acylphenyl)cyclohexane-1,3-dione derivatives
  申请人：ICI Australia Limited

  公开号：US04652303A1

  公开（公告）日：1987-03-24

  The invention concerns novel compounds of the formula I ##STR1## wherein: W are selected from the group consisting of: the groups R.sup.5 --CO-- and R.sup.5 --CS-- wherein: R.sup.5 is selected from alkenyl, alkynyl, benzyl, phenyl, substituted alkyl, substituted alkenyl, substituted alkynyl, substituted benzyl, substituted phenyl and the acetal, hemiacetal, oxime, imine and Schiff base derivatives of the group R.sup.5 --CO--; the groups Y--CO-- and Y--CS-- wherein Y is selected from hydroxy, mercapto, alkylthio and the groups MO-- and MS-- wherein M is an organic or an inorganic cation; the groups R.sup.6 R.sup.7 NCO-- and R.sup.6 R.sup.7 NCS-- wherein R.sup.6 and R.sup.7 are independently selected from hydrogen, alkyl, substituted alkyl, alkanoyl, carboxy, alkoxycarbonyl, alkylsulfonyl, benzoyl, benzenesulfonyl, substituted benzoyl, substituted benzenesulfonyl, or R.sup.6 and R.sup.7 form a heterocyclic ring; X are selected from halogen, nitro, cyano, alkyl, substituted alkyl, hydroxy, alkoxy, substituted alkoxy, alkenyl, alkenyloxy, alkynyl, alkynyloxy, acyloxy, alkoxycarbonyl, alkylthio, alkylsulfinyl, alkylsulfonyl, sulfamoyl, substituted sulfamoyl, alkanoyloxy, benzyloxy, substituted benzyloxy, amino, substituted amino, and the groups formyl and alkanoyl and the acetal, hemiacetal, oxime, imine and Schiff base derivatives thereof; R.sup.1 is selected from hydrogen, alkyl, alkenyl, alkynyl, substituted alkyl, alkylsulfonyl, arylsulfonyl, acyl and an inorganic or organic cation; R.sup.2 is selected from alkyl, substituted alkyl, alkenyl, haloalkenyl, alkynyl and haloalkynyl; R.sup.3 is selected from alkyl, fluoroalkyl, alkenyl, alkynyl, and phenyl; R.sup.4 is selected from hydrogen, halogen, alkyl, cyano and alkoxycarbonyl; m is selected from integers 1 and 2; n is selected from the integers 1 to 4; and m+n is selected from the integers 3 to 5. The compounds of the invention show herbicidal properties and plant growth regulating properties and in further embodiments the invention provides processes for the preparation of compounds of formula I, intermediates useful in the preparation of the compounds of formula I, compositions containing as active ingredient a compound of formula I, and herbicidal and plant growth regulating processes utilizing compounds of formula I.

  该发明涉及公式I的新化合物##STR1##其中：W选自以下组：R.sup.5 --CO--和R.sup.5 --CS--其中：R.sup.5选自烯基、炔基、苄基、苯基、取代烷基、取代烯基、取代炔基、取代苄基、取代苯基和R.sup.5 --CO--的乙缩醛、半乙缩醛、肟、亚胺和R.sup.5 --CO--的席夫碱衍生物；Y--CO--和Y--CS--其中Y选自羟基、巯基、烷基硫和MO--和MS--其中M是有机或无机阳离子；R.sup.6 R.sup.7 NCO--和R.sup.6 R.sup.7 NCS--其中R.sup.6和R.sup.7独立选择自氢、烷基、取代烷基、烷酰基、羧基、烷氧羰基、烷基磺酰基、苯甲酰基、苯磺酰基、取代苯甲酰基、取代苯磺酰基，或R.sup.6和R.sup.7形成杂环；X选自卤素、硝基、氰基、烷基、取代烷基、羟基、烷氧基、取代烷氧基、烯基、烯氧基、炔基、炔氧基、酰氧基、烷氧羰基、烷基硫、烷基磺基、磺酰基、取代磺酰基、烷酰氧基、苄氧基、取代苄氧基、氨基、取代氨基，以及甲酰基和烷酰基和其乙缩醛、半乙缩醛、肟、亚胺和席夫碱衍生物；R.sup.1选自氢、烷基、烯基、炔基、取代烷基、烷磺基、芳基磺基、酰基和无机或有机阳离子；R.sup.2选自烷基、取代烷基、烯基、卤代烯基、炔基和卤代炔基；R.sup.3选自烷基、氟烷基、烯基、炔基和苯基；R.sup.4选自氢、卤素、烷基、氰基和烷氧羰基；m选自整数1和2；n选自整数1至4；m+n选自整数3至5。该发明的化合物具有除草和植物生长调节特性，并在进一步的实施中提供了制备公式I化合物的过程、制备公式I化合物的中间体、含有公式I化合物作为活性成分的组合物，以及利用公式I化合物的除草和植物生长调节过程。
• Cyclohexenone derivatives and their herbicidal use.
  申请人：ICI Australia Limited

  公开号：US04666510A1

  公开（公告）日：1987-05-19

  The invention concerns novel compounds of the formula I ##STR1## wherein: X is selected from halogen, nitro, cyano, alkyl, substituted alkyl, hydroxy, alkoxy, substituted alkoxy, alkenyl, alkynyl, alkenyloxy, alkynyloxy, acyloxy, alkoxycarbonyl, alkylthio, alkylsulfinyl, alkylsulfonyl, sulfamoyl, substituted sulfamoyl, amino, substituted amino, and the groups formyl and alkanoyl and the oxime, imine and Schiff base derivatives thereof; R.sup.1 is selected from hydrogen, alkyl, alkenyl, alkynyl, substituted alkyl, alkylsulfonyl, arylsulfonyl, acyl and an inorganic or organic cation; R.sup.2 is selected from alkyl, substituted alkyl, alkenyl, haloalkenyl, alkynyl and haloalkynyl; R.sup.3 is selected from alkyl, fluoroalkyl, alkenyl, alkynyl, and phenyl; m is an integer chosen from 3 to 5. The compounds of the invention show herbicidal properties and plant growth regulating properties and in further embodiments the invention provides processes for the preparation of compounds of formula I, intermediates useful in the preparation of the compounds of formula I, compositions containing as active ingredient a compound of formula I, and herbicidal and plant growth regulating processes utilizing compounds of formula I.

  这项发明涉及公式I的新化合物 其中：X从卤素、硝基、氰基、烷基、取代烷基、羟基、烷氧基、取代烷氧基、烯基、炔基、烯氧基、炔氧基、酰氧基、烷氧羰基、烷基硫基、烷基砜基、烷基砜基、磺胺基、取代磺胺基、氨基、取代氨基以及甲酰基和脂酰基及其氧肟、亚胺和席夫碱衍生物中选择；R.sup.1从氢、烷基、烯基、炔基、取代烷基、烷基砜基、芳基砜基、酰基和无机或有机阳离子中选择；R.sup.2从烷基、取代烷基、烯基、卤代烯基、炔基和卤代炔基中选择；R.sup.3从烷基、氟烷基、烯基、炔基和苯基中选择；m是从3到5中选择的整数。该发明的化合物显示除草性能和植物生长调节性能，并在进一步的实施中提供了制备公式I化合物的方法，有用于制备公式I化合物的中间体，包含公式I化合物作为活性成分的组合物，以及利用公式I化合物的除草和植物生长调节过程。
• Compounds and compositions
  申请人：ICI Australia Limited

  公开号：US04767879A1

  公开（公告）日：1988-08-30

  The invention concerns novel compounds of the formula I ##STR1## wherein: X is selected from halogen, nitro, cyano, alkyl, substituted alkyl, hydroxy, alkoxy, substituted alkoxy, alkenyl, alkynyl, alkenyloxy, alkynyloxy, acyloxy, alkoxycarbonyl, alkylthio, alkylsulfinyl, alkylsulfonyl, sulfamoyl, substituted sulfamoyl, amino, substituted amino, and the groups formyl and alkanoyl and the oxime, imine and Schiff base derivatives thereof; R.sup.1 is selected from hydrogen, alkyl, alkenyl, alkynyl, substituted alkyl, alkylsulfonyl, arylsulfonyl, acyl and an inorganic or organic cation; R.sup.2 is selected from alkyl, substituted alkyl, alkenyl, haloalkenyl, alkynyl and haloalkynyl; R.sup.3 is selected from alkyl, fluoroalkyl, alkenyl, alkynyl, and phenyl; m is an integer chosen from 3 to 5. The compounds of the invention show herbicidal properties and plant growth regulating properties and in further embodiments the invention provides processes for the preparation of compounds of formula I, intermediates useful in the preparation of the compounds of formula I, compositions containing as active ingredient a compound of formula I, and herbicidal and plant growth regulating processes utilizing compounds of formula I.

  本发明涉及一种新型化合物，其化学式为I ##STR1## 其中：X选自卤素，硝基，氰基，烷基，取代烷基，羟基，烷氧基，取代烷氧基，烯基，炔基，烯氧基，炔氧基，酰氧基，烷氧羰基，烷基硫醇，烷基亚砜基，烷基磺酰基，磺酰胺基，取代磺酰胺基，氨基，取代氨基以及酰肟，亚胺和席夫碱衍生物；R.sup.1选自氢，烷基，烯基，炔基，取代烷基，烷基磺酰基，芳基磺酰基，酰基以及无机或有机阳离子；R.sup.2选自烷基，取代烷基，烯基，卤代烯基，炔基和卤代炔基；R.sup.3选自烷基，氟代烷基，烯基，炔基和苯基；m是选择从3到5的整数。该发明的化合物具有除草和植物生长调节性能，进一步实施例中，本发明提供了化合物I的制备方法，用于制备化合物I的中间体，含有化合物I作为活性成分的组合物，以及利用化合物I进行除草和植物生长调节的过程。
• Herbicidal compositions
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0128642A1

  公开（公告）日：1984-12-19

  Herbicidal compositions comprising isoproturon and a cyclohexane-dione compound of formula (1) wherein n is 2 to 5, R1 is H, an optionally substituted aliphatic radical or an acyl radical, R2 is an optionally substituted aliphatic radical, R3 is an aliphatic radical; and n is 2, 3, 4 or 5 useful as selective herbicides for grass weeds in cereals.

  包含异丙隆和式(1)环己烷二酮化合物的除草组合物 其中 n 为 2 至 5，R1 为 H、任选取代的脂肪族基或酰基，R2 为任选取代的脂肪族基，R3 为脂肪族基；n 为 2、3、4 或 5，可用作谷物中禾本科杂草的选择性除草剂。