4,4,6-三甲基环己烷-1,3-二酮 | 104355-62-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4,4,6-三甲基环己烷-1,3-二酮
• 英文名称: 4,4,6-trimethylcyclohexane-1,3-dione
• 英文别名: 4,4,6-trimethyl-1,3-cyclohexanedione；4,4,6-Trimethyl-cyclohexan-1,3-dion；(+/-)-4.4.6-Trimethyl-dihydroresorcin
• CAS: 104355-62-6
• 化学式: C₉H₁₄O₂
• 分子量: 154.209
• InChiKey: XLXFNXWGTFJOQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4,6-三甲基环己烷-1,3-二酮 、 乙酰氯 在 4-二甲氨基吡啶 、 sodium methylate 作用下， 生成 (+/-)-angustione
  参考文献：
  名称：

  Sequence of alkylation of cyclohexane-1, 3-dione. Alternative synthesis of (±)-Angustione

  摘要：

  DOI：

  10.1007/bf00636555
• 作为产物：
  描述：

  2,4,4-Trimethyl-5-keto-hexansaeureethylester 在 potassium tert-butylate 作用下， 生成 4,4,6-三甲基环己烷-1,3-二酮
  参考文献：
  名称：

  Vig,O.P. et al., Journal of the Indian Chemical Society, 1969, vol. 46, p. 363 - 366

  摘要：

  DOI：

文献信息

• Process for the production of acylated 1,3-dicarbonyl compounds
  申请人：Stauffer Chemical Company

  公开号：US04695673A1

  公开（公告）日：1987-09-22

  An acylated 1,3-dicarbonyl compound is produced by rearrangement of the corresponding enol ester in the presence of a cyanide source. In one embodiment the cyanide source is employed with a molar excess of a moderate base, with respect to the enol ester. In another embodiment, the cyanide source is a stoichiometric amount, with respect to the enol ester, of potassium or lithium cyanide and a catalytic amount of a crown ether is used.

  在一个实施例中，通过在存在氰源的情况下重新排列相应的烯醇酯，产生了一种酰化的1,3-二羰基化合物。在另一个实施例中，氰源与适量的中等碱（相对于烯醇酯）一起使用。氰源是与烯醇酯的化学计量量的钾或锂氰化物，并且使用了催化量的冠醚。
• Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors
  申请人：Jirgensons Aigars

  公开号：US20050197361A1

  公开（公告）日：2005-09-08

  The invention relates to tetrahydroquinolinone derivatives as well as their pharmaceutially acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are group I mGluR antagonists and are therefore useful for the control and prevention of acute and/or chronic neurological disorders.

  该发明涉及四氢喹诺酮衍生物及其药用可接受的盐。该发明还涉及一种制备这种化合物的方法。该发明的化合物是I组mGluR拮抗剂，因此对于控制和预防急性和/或慢性神经系统疾病非常有用。
• Triketone derivatives and herbicides
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：US20040002425A1

  公开（公告）日：2004-01-01

  The present invention relates to a novel triketone derivative having a specific structure and a herbicide containing the triketone derivative as an active ingredient. The herbicide is effective for controlling weeds which inhibit growth of crop plants, inter alia, for paddy weeds such as Sanwa millet and Scirups juncoides.

  本发明涉及一种具有特定结构的新型三酮衍生物和含有该三酮衍生物作为活性成分的除草剂。该除草剂对于控制抑制作物生长的杂草有效，尤其对于水稻杂草，如三粒谷和茅莓草。
• Haloalkoxy-substituted benzoylcyclohexanediones as herbicides and plant
  申请人：Hoechst Aktiengesellschaft

  公开号：US05306695A1

  公开（公告）日：1994-04-26

  Compounds of the formula I ##STR1## in which n is 0-6, R.sup.1 is alkyl, haloalkyl, cycloalkyl, halocycloalkyl, phenyl or halogenated phenyl, R.sup.2 is Hal, CN, alkyl, haloalkyl, alkoxy, haloalkoxy, thioalkyl, R.sup.a SO.sub.2 --, R.sup.a SO.sub.2 O--, R.sup.a SO.sub.2 NR.sup.6, R.sup.a and R.sup.b being alkyl or haloalkyl, and R.sup.3 is H, Hal, alkyl, haloalkyl, alkoxy, haloalkoxy or alkylthio, and R.sup.4 is haloalkyl, are suitable as selective herbicides and as growth regulators. To prepare them, a cyclohexanedione can be reacted a) with a 4-oxy-substituted benzoyl chloride and the resulting enol ether can be rearranged, or b) with a benzoyl cyanide. The benzoyl chloride or benzoyl cyanide required can be obtained from correspondingly substituted toluenes via the carboxylic acid.

  公式I的化合物##STR1##其中n为0-6，R.sup.1为烷基，卤代烷基，环烷基，卤代环烷基，苯基或卤代苯基，R.sup.2为Hal，CN，烷基，卤代烷基，烷氧基，卤代烷氧基，硫代烷基，R.sup.a SO.sub.2 --，R.sup.a SO.sub.2 O--，R.sup.a SO.sub.2 NR.sup.6，其中R.sup.a和R.sup.b为烷基或卤代烷基，R.sup.3为H，Hal，烷基，卤代烷基，烷氧基，卤代烷氧基或烷硫基，R.sup.4为卤代烷基，适用于选择性除草剂和生长调节剂。为了制备它们，可以将环己酮与a）4-氧基取代的苯甲酰氯反应，并使得到的烯醚重排，或者b）与苯甲酰氰反应。所需的苯甲酰氯或苯甲酰氰可以通过相应取代甲苯经由羧酸获得。
• Certain-2-(2'-alkylbenzoyl)-1,3-cyclohexanediones
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0186120A1

  公开（公告）日：1986-07-02

  Compounds of the formula wherein R is C1-C4, alkyl or CF3; R' is hydrogen or C1-C4 alkyl; R2 is hydrogen, C1-C4 alkyl or wherein R' is C,-C4 alkyl; R1 and R2 together are alkylene having 3 to 6 carbon atoms; R3 is hydrogen or C1-C4 alkyl; R4 is hydrogen or C1-C4 alkyl; R5 is hydrogen or C1-C4 alkyl; R6 is hydrogen or C1-C4 alkyl; and R7 and R8 independently are (1) hydrogen; (2) halogen; (3) C1-C4 alkyl; (4) C1-C4 alkoxy; (5) OCF3; (6) cyano; (7) nitro; (8) C1-C4 haloalkyl; (9) RbSOn- wherein n is the integer 0, 1 or 2; and Rb is (a) C1-C4 alkyl; (b) C1-C4 alkyl substituted with halogen or cyano; (c) phenyl; or (d) benzyl; (10) - NRcRd wherein Rc and Rd independently are hydrogen or C1-C4 alkyl; (11) R°C(O)- wherein R° is C1-C4 alkyl or C1-C4 alkoxy; or (12) SO2NRcRd wherein Rc and Rd are as defined with the proviso that R7 is not attached to the 6-position are effective as herbicides.

  式中的化合物 其中 R 是 C1-C4、烷基或 CF3；R'是氢或 C1-C4 烷基；R2 是氢、C1-C4 烷基或 CF3；R'是氢或 C1-C4 烷基。 其中，R'是C,-C4烷基；R1和R2一起是具有3至6个碳原子的亚烷基；R3是氢或C1-C4烷基；R4是氢或C1-C4烷基；R5是氢或C1-C4烷基；R6是氢或C1-C4烷基；和 R7 和 R8 独立地是 (1) 氢；(2) 卤素；(3) C1-C4 烷基；(4) C1-C4 烷氧基；(5) OCF3；(6) 氰基；(7) 硝基；(8) C1-C4 卤代烷基；(9) RbSOn-，其中 n 是整数 0、1 或 2；(10) - NRcRd 其中 Rc 和 Rd 分别为氢或 C1-C4 烷基；(11) R°C(O)- 其中 R° 为 C1-C4 烷基或 C1-C4 烷氧基；或 (12) SO2NRcRd 其中 Rc 和 Rd 如所定义，但 R7 不连接到 6 位。