1-oxo-2,2-dimethyl-1,2-dihydronaphthalene | 16020-15-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-oxo-2,2-dimethyl-1,2-dihydronaphthalene
• 英文别名: 2,2-dimethyl-1,2-dihydronaphthalen-1-one；2,2-dimethyl-1,2-dihydro-naphthalenone；2,2-dimethylnaphthalen-1(2H)-one；2,2-dimethyl-2H-naphthalen-1-one；2,2-Dimethyl-2H-naphthalin-1-on；2,2-dimethyl-1-oxo-1,2-dihydronaphthalene；2,2-dimethylnaphthalen-1-one
• CAS: 16020-15-8
• 化学式: C₁₂H₁₂O
• 分子量: 172.227
• InChiKey: MVWSDWVTRYPWLS-UHFFFAOYSA-N

物化性质

• 沸点：
  123-125 °C(Press: 12 Torr)
• 密度：
  1.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-oxo-2,2-dimethyl-1,2-dihydronaphthalene 在 phosphorous (V) sulfide 作用下， 以 吡啶 为溶剂， 以91%的产率得到2,2-二甲基-1,2-二氢萘-1-硫酮
  参考文献：
  名称：

  Transition metal promoted reactions. 28. Tungsten hexacarbonyl mediated desulfurdimerization of dithioacetals. Evidence for a thione intermediate

  摘要：

  DOI：

  10.1021/jo00293a037
• 作为产物：
  描述：

  2,2-二甲基-3,4-二氢萘-1-酮 在 四氯化碳 、 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 、 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以60%的产率得到1-oxo-2,2-dimethyl-1,2-dihydronaphthalene
  参考文献：
  名称：

  在吡啶酮，环己二酮和萘烯的光环化过程中，沸石在不对称诱导中的价值。

  摘要：

  为了在环己二烯酮，萘酮和吡啶酮衍生物的光环化过程中实现不对称诱导，已经在沸石中研究了两种策略，即手性诱导剂和手性辅助方法。在沸石中，对映选择性高达55％，非对映选择性高达88％。考虑到这些反应在各向同性溶液介质中几乎没有立体选择性，因此观察到的立体选择性非常重要。沸石中二烯酮，萘酮和N-烷基吡啶酮的光环化获得的结果补充了我们先前对托酚酮衍生物的光环化，1,2-二苯基环丙烷和2,3-二苯基-1-苯甲酰基环丙烷的几何异构化以及α-氧代酰胺的Norrish II型反应，苯基金刚烷基酮，苯基降冰片基酮和苯基环己基酮。在这些例子的帮助下，我们已经确定了沸石及其电荷补偿阳离子在光化学反应中实现不对称诱导的重要性。

  DOI：

  10.1039/b702572f

文献信息

• A new chiral diol derived from tetralone for the complexation of Lewis acids
  作者：Michael P Coogan、Robert Haigh、Adrian Hall、Lisa D Harris、David E Hibbs、Robert L Jenkins、Claire L Jones、Nicholas C.O Tomkinson

  DOI：10.1016/s0040-4020(03)01127-x

  日期：2003.9

  A new approach to the rational design of Lewis acids based on face–face π–π interactions is described. The synthesis of two novel diols (−)(1R,3R)-2,2-dimethyl-1,2,3,4-tetrahydronaphthalene-1,3-diol (−)-1 and (−)(1S,3R)-trans-2,2-dimethyl-1,2,3,4-tetrahydronaphthalene-1-3-diol (−)-9 is reported in six and five steps respectively starting from α-tetralone. Complexation of (−)(1R,3R)-2,2-dimethyl-1,2

  描述了一种基于面-面π-π相互作用的路易斯酸合理设计的新方法。两种新型二醇（-）（1 R，3 R）-2,2-二甲基-1,2,3,4-四氢萘-1,3-二醇（-）- 1和（-）（1 S）的合成从α-四氢萘酮开始，分六个步骤和五个步骤报道了，3 R）-反式-2,2-二甲基-1,2,3,4-四氢萘-1-3-二醇（-）- 9。（-）（1 R，3 R）-2,2-二甲基-1,2,3,4-四氢萘-1,3-二醇（-）- 1的络合 到苯硼酸的Pb表示硼原子和芳环之间的晶面距离为3.05Å，这对于所建议的相互作用是理想的。
• Tetralones with pharmacological activity
  申请人：J. Uriach & Cia.

  公开号：US05208246A1

  公开（公告）日：1993-05-04

  The present invention relates to new tetralones having the formula I: ##STR1## wherein: R.sup.1 and R.sup.2 represent hydrogen, halogen, cyano, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, trifluoromethyl, pentafluoroethyl, ethynyl, trimethylsilylethynyl, C.sub.1-4 alkylcarbonylamino being the amino optionally substituted by a C.sub.1-4 alkyl group; R.sup.3 is hydrogen or C.sub.1-4 alkyl, and R.sup.4 is C.sub.1-4 alkyl, or R.sup.3 and R.sup.4 together form a C.sub.2-5 polymethylene chain; either R.sup.5 represents hydroxyl, acetoxy or formyloxy and R.sup.6 and R.sup.7 are both hydrogen, or R.sup.5 together with R.sup.6 form a carbonyl group and R.sup.7 is hydrogen, or R.sup.5 and R.sup.7 together form a bond and R.sup.6 is hydrogen; R.sup.8 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.

  本发明涉及具有以下化学式I的新四氢萘：##STR1##其中：R.sup.1和R.sup.2代表氢、卤素、氰基、C.sub.1-4烷基、C.sub.1-4烷氧基、三氟甲基、五氟乙基、乙炔基、三甲基硅基乙炔基、C.sub.1-4烷基羰基氨基，该氨基可能被C.sub.1-4烷基基团取代；R.sup.3为氢或C.sub.1-4烷基，R.sup.4为C.sub.1-4烷基，或R.sup.3和R.sup.4一起形成C.sub.2-5聚亚甲基链；R.sup.5代表羟基、乙酰氧基或甲酰氧基，R.sup.6和R.sup.7都是氢，或者R.sup.5与R.sup.6一起形成羰基，R.sup.7为氢，或者R.sup.5和R.sup.7一起形成键，R.sup.6为氢；R.sup.8为1,2-二氢-2-氧-1-吡啶基、2,3-二氢-1-氧-1H-异吲哚-2-基、2-氧-1-吡咯烷基、2-氧-1-吡哌啶基等。该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。
• Novel nucleophilic rearrangement of 1-substituted isoquinolines using an alcoholic sodium hydroxide solution
  作者：V. I. Terenin、A. A. Volkov、A. S. Ivanov、E. V. Kabanova

  DOI：10.1007/s10593-011-0722-3

  日期：2011.4

  The reactions of 1-substituted isoquinolinium salts have been studied in the cases of the 1-isopropyl-2-methyl- and 2-methyl-1-cyclohexylisoquinolinium iodides using an alcoholic solution of sodium hydroxide. The possibility of preparing a wide range of spirocyclic ketones, alcohols, amino alcohols, and isochroman-3-ones has been demonstrated.

  在碘化1-异丙基-2-甲基和2-甲基-1-环己基异喹啉鎓的情况下，使用氢氧化钠的醇溶液研究了1-取代异喹啉鎓盐的反应。已经证明制备多种螺环酮，醇，氨基醇和异色满-3-酮的可能性。
• DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS
  申请人：Odermatt Alex

  公开号：US20090062401A1

  公开（公告）日：2009-03-05

  The present invention relates to compounds having a decaline scaffold, pharmaceutically acceptable salts of these compounds and pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable carrier, excipient and/or diluents. Said decaline-derived compounds can be used for prophylaxsis and/or treatment of diabetes mellitus type I, diabetes mellitus type II, tuberculosis and other infectious diseases, proliferative diseases, cancer, neurodegenerative diseases, obesity, cognitive dysfunctions and metabolic syndromes.

  本发明涉及具有十二环骨架的化合物，这些化合物的药学上可接受的盐以及含有这些化合物之一的药物组合物，该组合物还包含药学上可接受的载体、赋形剂和/或稀释剂。所述的十二环衍生化合物可用于预防和/或治疗糖尿病I型、糖尿病II型、结核病和其他传染病、增殖性疾病、癌症、神经退行性疾病、肥胖症、认知功能障碍和代谢综合征。
• 2,2-Dialkylnaphthalen-1-ones as new potassium channel activators
  作者：Carmen Almansa、Luis A. Gomez、Fernando L. Cavalcanti、Ricardo Rodriguez、Elena Carceller、Javier Bartroli、Julian Garcia-Rafanell、Javier Forn

  DOI：10.1021/jm00067a011

  日期：1993.7

  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.