2,2-dimethyl-6-(phenylthio)-1,2,3,4-tetrahydronaphthalen-1-one | 149456-15-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,2-dimethyl-6-(phenylthio)-1,2,3,4-tetrahydronaphthalen-1-one
• 英文别名: 2,2-Dimethyl-6-phenylsulfanyl-3,4-dihydronaphthalen-1-one
• CAS: 149456-15-5
• 化学式: C₁₈H₁₈OS
• 分子量: 282.406
• InChiKey: PYKDVVZDWOCTBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-6-(phenylthio)-1,2,3,4-tetrahydronaphthalen-1-one 在 氢氧化钾 、 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 2,2-dimethyl-3,4-epoxy-6-phenylsulphonyl-1,2,3,4-tetrahydronaphthalen-1-one
  参考文献：
  名称：

  2,2-Dialkylnaphthalen-1-ones as new potassium channel activators

  摘要：

  A new series of 2,2-dialkylnaphthalen-1-one potassium channel activators has been prepared, and their in vitro relaxant activities in isolated rat portal vein and guinea pig tracheal spirals as well as their oral antihypertensive effect in spontaneously hypertensive rats have been evaluated. The group of 1,2-dihydro-4-(1,2-dihydro-2-oxo-1-pyridyl)-2,2-dimethylnaphthalen-1-ones with an electron-withdrawing substituent at the 6-position contain the most active compounds and 1,2-dihydro-4-(1,2-dihydro-2-oxo-1-pyridyl)-2,2-dimethyl-1-oxonaphthalene-6-c arbonitrile, 17f (UR-8225), has been selected for further pharmacological development.

  DOI：

  10.1021/jm00067a011
• 作为产物：
  描述：

  6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1(2H)-one 在 N-甲基吡咯烷酮 、 氢溴酸 、 potassium carbonate 、 二溴三苯基膦 作用下， 反应 9.0h， 生成 2,2-dimethyl-6-(phenylthio)-1,2,3,4-tetrahydronaphthalen-1-one
  参考文献：
  名称：

  2,2-Dialkylnaphthalen-1-ones as new potassium channel activators

  摘要：

  A new series of 2,2-dialkylnaphthalen-1-one potassium channel activators has been prepared, and their in vitro relaxant activities in isolated rat portal vein and guinea pig tracheal spirals as well as their oral antihypertensive effect in spontaneously hypertensive rats have been evaluated. The group of 1,2-dihydro-4-(1,2-dihydro-2-oxo-1-pyridyl)-2,2-dimethylnaphthalen-1-ones with an electron-withdrawing substituent at the 6-position contain the most active compounds and 1,2-dihydro-4-(1,2-dihydro-2-oxo-1-pyridyl)-2,2-dimethyl-1-oxonaphthalene-6-c arbonitrile, 17f (UR-8225), has been selected for further pharmacological development.

  DOI：

  10.1021/jm00067a011

文献信息

• Tetralones with pharmacological activity
  申请人：J. URIACH & CIA. S.A.

  公开号：EP0489300A2

  公开（公告）日：1992-06-10

  57 The present invention relates to new tetralones having the formula I: wherein: R1 and R2 represent hydrogen, halogen, cyano, C1-4 alkyl, C1-4 alkoxy, trifluoromethyl, pentafluoroethyl, ethynyl, trimethylsilylethynyl, C1-4 alkylcarbonylamino being the amino optionally substituted by a C, -4 alkyl group; R3 is hydrogen or C1-4 alkyl, and R4 is C1-4 alkyl, or R3 and R4 together form a C2-5 polymethylene chain; either R5 represents hydroxyl, acetoxy or formyloxy and R6 and R7 are both hydrogen, or R5 together with R6 form a carbonyl group and R7 hydrogen, or R5 and R7 together form a bond and R6 is hydrogen; R8 is, among others, 1,2-dihydro-2-oxo-1-pyridyl, 2,3-dihydro-1-oxo-1H-isoindol-2-yl, 2-oxo-1-pyrrolidinyl, 2-oxo-1- pyperidinyl. The invention also relates to a procedure for their preparation and to pharmaceutical compositions containing them. These compounds are antihypertensive and bronchodilator agents.

  57 本发明涉及具有式 I 的新四萘酮： 其中 R1和R2代表氢、卤素、氰基、C1-4烷基、C1-4烷氧基、三氟甲基、五氟乙基、乙炔基、三甲基硅烷基乙炔基、C1-4烷基羰基氨基，其中氨基任选被C,-4烷基取代；R3是氢或C1-4烷基，R4是C1-4烷基，或R3和R4一起形成C2-5多亚甲基链；R5代表羟基、乙酰氧基或甲酰氧基，R6和R7均为氢，或R5与R6一起形成羰基，R7为氢，或R5与R7一起形成键，R6为氢；R8除其他外，为1,2-二氢-2-氧代-1-吡啶基、2,3-二氢-1-氧代-1H-异吲哚-2-基、2-氧代-1-吡咯烷基、2-氧代-1-哌啶基。本发明还涉及它们的制备方法和含有它们的药物组合物。这些化合物是抗高血压和支气管扩张剂。
• US5208246A
  申请人：——

  公开号：US5208246A

  公开（公告）日：1993-05-04
• US5272170A
  申请人：——

  公开号：US5272170A

  公开（公告）日：1993-12-21