4-(tetrahydropyran-4-yl)-but-3-en-2-one | 132845-78-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 4-(tetrahydropyran-4-yl)-but-3-en-2-one
• 英文别名: 4-(4-tetrahydropyranyl)-3-butene-2-one；4-(tetrahydropyran-4-yl)-3-buten-2-one；1-(4-tetrahydropyranyl)but-1-en-3-one；4-(oxan-4-yl)but-3-en-2-one
• CAS: 132845-78-4
• 化学式: C₉H₁₄O₂
• 分子量: 154.209
• InChiKey: RQJFDCVHFWRDRX-UHFFFAOYSA-N

物化性质

• 沸点：
  270.3±15.0 °C(Predicted)
• 密度：
  1.048±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(tetrahydropyran-4-yl)-but-3-en-2-one 、 丙二酸二乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 3.5h， 以0.8 g的产率得到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
• 作为产物：
  描述：

  tetrahydro-4-(methoxymethylene)-2H-pyran 在 对甲苯磺酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 188.5h， 生成 4-(tetrahydropyran-4-yl)-but-3-en-2-one
  参考文献：
  名称：

  WO2008/110307

  摘要：

  公开号：

文献信息

• Preparation of 1-(4-tetrahydropyranyl)- or
  申请人：BASF Aktiengesellschaft

  公开号：US05221753A1

  公开（公告）日：1993-06-22

  A process for the preparation of 1-(4-tetrahydropyranyl)- or 1-(4-tetrahydrothiopyranyl)prop-1-en-3-ones of the general formula I ##STR1## where R.sup.1 is hydrogen, C.sub.1 - to C.sub.10 -alkyl, C.sub.1 - to C.sub.10 -alkoxy or aryloxy, R.sup.2 is hydrogen, C.sub.1 - to C.sub.4 -alkyl, or aryl which is unsubstituted or substituted by C.sub.1 - to C.sub.4 -alkyl and/or halogen, and X is oxygen or sulfur, by reacting 1-aminoprop-1-en-3-ones of the general formula II ##STR2## where R.sup.1 and R.sup.2 are as defined above, and R.sup.3 and R.sup.4, independently of one another, are hydrogen, C.sub.1 - to C.sub.4 -alkyl, aryl or together are a C.sub.2 - to C.sub.7 -alkylene chain, with a 4-tetrahydropyranyl- or 4-tetrahydrothiopyranylmagnesium halide of the general formula III ##STR3## where X is as defined above and Y is halogen, at from -20.degree. to 100.degree. C., and novel 1-(4-tetrahydropyranyl)- or 1-(4-tetrahydrothiopyranyl)prop-1-en-3-ones are described.

  一种制备通式I中1-(4-四氢吡喃基)-或1-(4-四氢硫代吡喃基)丙-1-烯-3-酮的方法，其中R.sup.1为氢、C.sub.1-至C.sub.10-烷基、C.sub.1-至C.sub.10-烷氧基或芳基，R.sup.2为氢、C.sub.1-至C.sub.4-烷基或未取代或被C.sub.1-至C.sub.4-烷基和/或卤素取代的芳基，X为氧或硫，通过将通式II中R.sup.1和R.sup.2定义如上所述，R.sup.3和R.sup.4分别为氢、C.sub.1-至C.sub.4-烷基、芳基或一起是C.sub.2-至C.sub.7-烷基链的1-氨基丙-1-烯-3-酮与通式III中X如上定义，Y为卤素的4-四氢吡喃基-或4-四氢硫代吡喃基镁卤化物在-20°C至100°C反应，描述了新型的1-(4-四氢吡喃基)-或1-(4-四氢硫代吡喃基)丙-1-烯-3-酮。
• 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。