(+)-7-pentafluoroethyl-1,2,3,4-tetrahydronaphthalen-1-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (+)-7-pentafluoroethyl-1,2,3,4-tetrahydronaphthalen-1-one
• 英文别名: 7-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydro-2H-naphthalen-1-one
• 化学式: C₁₂H₉F₅O
• 分子量: 264.195
• InChiKey: PFJGUVZDNRPRAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  7-溴-3,4-二氢萘-1(2H)-酮 、 sodium pentafluoropropionate 在 碘化亚铜 氩 、 H2O- 、 水 、 magnesium sulfate 、 silica gel 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 3.0h， 以to give the desired product as a colourless oil (8.75 g, yield: 80%)的产率得到(+)-7-pentafluoroethyl-1,2,3,4-tetrahydronaphthalen-1-one
  参考文献：
  名称：

  Tetralones with pharmacological activity, compositions containing them

  摘要：

  本发明涉及具有以下式子I的新四环酮：##STR1## 其中R.sup.1至R.sup.7如权利要求1所定义。本发明还涉及它们的制备方法，包含它们的制药组合物以及它们在制药中的应用。这些化合物是抗高血压和支气管扩张剂。

  公开号：

  US05356915A1

文献信息

• Tetralones with pharmacological activity, compositions containing them and process for their preparation
  申请人：J. URIACH & CIA. S.A.

  公开号：EP0600147A1

  公开（公告）日：1994-06-08

  The present invention relates to new tetralones having the formula I: wherein: R1 and R2 independently represent hydrogen, C1 -4 alkyl, hydroxy, C1 -4 alkoxy, formyl, C1 -4 alkylcarbonyl, C1 -4 alkylthiocarbonyl, carboxyl, C1 -4 alkoxycarbonyl, C1 -4 alkoxythiocarbonyl, C1 -4 alkylcarbonyloxy, C1-4 alkylthiocarbonyloxy, hydroxy-(C1-4) alkyl, mercapto-(C1-4) alkyl, perfluoro-(C1-4)alkyl, nitro, amino, cyano, halogen, trifluoromethoxy, ethynyl, trimethylsilylethynyl, C1 -4 alkylsulfinyl, arylsulfinyl, C1 -4 alkylsulfonyl, arylsulfonyl, C1-4 alkoxysulfinyl, C1-4 alkoxysulfonyl, C1-4 alkylcarbonylamino, C1-4 alkoxycarbonylamino, aminosulfinyl, aminosulfonyl, aminocarbonyl, aminothiocarbonyl, C1-4 alkylsulfinylamino, C1-4 alkylsulfonylamino, C1 -4 alkoxysulfinylamino, C1 -4 alkoxysulfonylamino, (C1-4 alkyl)carbonyl(Ci -4 alkyl), nitro-(C1-4 alkyl), cyano-(C1-4 alkyl), (C1-4 alkyl)C(= NOH), (C1-4 alkyl)C(= NNH2) or (C1-4 alkoxy)C(= NH), the above amino groups being optionally substituted by one or two C1 -4 alkyl groups; R3 and R4 are the same or different and independently represent a C1 -4 alkyl group, or R3 and R4 together form a C2-5 polymethylene chain; R5 is hydrogen and then R6 represents hydrogen, hydroxy or C1 -4 alkoxy, or R5 is hydroxy and then R6 is hydrogen, or else R5 and R6 together with the ring carbons form a bond or a group of formula: R7 is a 2-,3- or 4-pyridyl radical which can be optionally substituted by a hydroxy group or whose nitrogen atom can be optionally in the form of the N-oxide; and the salts and solvates thereof. The invention also relates to processes for their preparation, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments. These compounds are antihypertensive and bronchodilator agents.

  本发明涉及具有公式I的新四环酮：其中：R1和R2独立地表示氢，C1-4烷基，羟基，C1-4烷氧基，甲酰基，C1-4烷基羰基，C1-4烷基硫代羰基，羧基，C1-4烷氧羰基，C1-4烷氧硫代羰基，C1-4烷基羰氧基，C1-4烷基硫代羰氧基，羟基-(C1-4)烷基，巯基-(C1-4)烷基，全氟-(C1-4)烷基，硝基，氨基，氰基，三氟甲氧基，乙炔基，三甲基硅基乙炔基，C1-4烷基亚砜基，芳基亚砜基，C1-4烷基磺酰基，芳基磺酰基，C1-4烷氧基亚砜基，C1-4烷氧基磺酰基，C1-4烷基羰基氨基，C1-4烷氧基羰基氨基，氨基亚砜基，氨基磺酰基，氨基羰基，氨基硫代羰基，C1-4烷基亚砜基氨基，C1-4烷基磺酰基氨基，C1-4烷氧基亚砜基氨基，C1-4烷氧基磺酰基氨基，(C1-4烷基)羰基(C1-4烷基)，硝基-(C1-4烷基)，氰基-(C1-4烷基)，(C1-4烷基)C(=NOH)，(C1-4烷基)C(=NNH2)或(C1-4烷氧基)C(=NH)，上述氨基可以选择地由一个或两个C1-4烷基取代；R3和R4相同或不同且独立地表示C1-4烷基，或R3和R4一起形成一个C2-5多亚甲基链；R5为氢，然后R6表示氢，羟基或C1-4烷氧基，或R5为羟基，然后R6为氢，否则R5和R6与环碳共同形成键或公式组：R7是可以选择地由羟基基团取代或其氮原子可以选择地为N-氧化物的2-、3-或4-吡啶基基团；以及其盐和溶剂合物。本发明还涉及它们的制备方法，含有它们的制药组合物以及它们在制药中的应用。这些化合物是降压和支气管扩张剂。
• US5356915A
  申请人：——

  公开号：US5356915A

  公开（公告）日：1994-10-18
• Tetralones with pharmacological activity, compositions containing them
  申请人：J. Uriach & Cia. S.A.

  公开号：US05356915A1

  公开（公告）日：1994-10-18

  The present invention relates to new tetralones having formula I: ##STR1## wherein R.sup.1 to R.sup.7 are as defined in claim 1. The invention also relates to processes for their preparation, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments. These compounds are antihypertensive and bronchodilator agents.

  本发明涉及具有以下式子I的新四环酮：##STR1## 其中R.sup.1至R.sup.7如权利要求1所定义。本发明还涉及它们的制备方法，包含它们的制药组合物以及它们在制药中的应用。这些化合物是抗高血压和支气管扩张剂。