5-(tetrahydropyran-4-yl)-cyclohexane-1,3-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(tetrahydropyran-4-yl)-cyclohexane-1,3-dione
• 英文别名: 5-(tetrahydropyran-4-yl)cyclohexane-1,3-dione；5-(Tetrahydro-2H-pyran-4-YL)cyclohexane-1,3-dione；5-(oxan-4-yl)cyclohexane-1,3-dione
• 化学式: C₁₁H₁₆O₃
• 分子量: 196.246
• InChiKey: YANWVVUHMDATCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(tetrahydropyran-4-yl)-cyclohexane-1,3-dione 在 palladium diacetate lithium hydroxide 、 四丁基溴化铵 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 9.25h， 生成 2-(2,6-diethyl-4-methylphenyl)-5-(tetrahydropyran-4-yl)cyclohexane-1,3-dione
  参考文献：
  名称：

  WO2008/110307

  摘要：

  公开号：
• 作为产物：
  描述：

  4-醛基四氢吡喃 在 sodium ethanolate 、 sodium hydride 作用下， 以 乙二醇二甲醚 、 乙醇 、 mineral oil 为溶剂， 反应 7.5h， 生成 5-(tetrahydropyran-4-yl)-cyclohexane-1,3-dione
  参考文献：
  名称：

  [EN] ALDOSTERONE SYNTHASE INHIBITORS
  [FR] INHIBITEURS DE L'ALDOSTÉRONE SYNTHASE

  摘要：

  本发明涉及公式I的化合物及其药学上可接受的盐，其中X、R1、R2和R3的定义如本文所述。该发明还涉及包含这些化合物的药物组合物，使用这些化合物治疗各种疾病和障碍的方法，制备这些化合物的过程以及在这些过程中有用的中间体。

  公开号：

  WO2016123275A1

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。
• Aldosterone synthase inhibitors
  申请人：Boehringer Ingelheim International GmbH

  公开号：US10131642B1

  公开（公告）日：2018-11-20

  The present invention relates to compounds of formula I: and pharmaceutically acceptable salts thereof, wherein X, R1, R2 and R3 are as defined herein. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本发明涉及式 I 的化合物：及其药学上可接受的盐类，其中 X、R1、R2 和 R3 如本文所定义。本发明还涉及包含这些化合物的药物组合物、使用这些化合物治疗各种疾病和失调的方法、制备这些化合物的工艺以及在这些工艺中有用的中间体。
• 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
• ALDOSTERONE SYNTHASE INHIBITORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP3250569A1

  公开（公告）日：2017-12-06