2,3,5,5-tetramethylcyclohex-2-en-1-one | 60417-86-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3,5,5-tetramethylcyclohex-2-en-1-one
• 英文别名: 2,3,5,5-Tetramethyl-cyclohexen-(2)-on
• CAS: 60417-86-9
• 化学式: C₁₀H₁₆O
• 分子量: 152.236
• InChiKey: IGQXORINWHZSBK-UHFFFAOYSA-N

物化性质

• 沸点：
  90 °C(Press: 8 Torr)
• 密度：
  0.931 g/cm3(Temp: 21 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 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：

  2,3,5,5-tetramethylcyclohex-2-en-1-one 在 sodium hydroxide 、 双氧水 作用下， 以 甲醇 为溶剂， 反应 23.0h， 以86%的产率得到2,3-epoxy-2,3,5,5-tetramethylcyclohexanone
  参考文献：
  名称：

  Johnson, William S.; Buchanan, Robert A.; Bartlett, William R., Journal of the American Chemical Society, 1993, vol. 115, # 2, p. 504 - 515

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6,6-三甲基-4-氧代环己-2-烯-1-羧酸乙酯 生成 2,3,5,5-tetramethylcyclohex-2-en-1-one
  参考文献：
  名称：

  Notes

  摘要：

  DOI：

  10.1039/jr9640001511

文献信息

• SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME
  申请人：Otomo Akira

  公开号：US20120172599A1

  公开（公告）日：2012-07-05

  Problem to Be Solved: to provide a chromophore having a far superior nonlinear optical activity to conventional chromophores and to provide a nonlinear optical element comprising said chromophore. Solution: a chromophore comprising a donor structure D, a π-conjugated bridge structure B, and an acceptor structure A, the donor structure D comprising an aryl group substituted with a substituted oxy group; and a nonlinear optical element comprising said chromophore.

  问题要解决的是：提供一种具有比传统色团更优越的非线性光学活性的色团，并提供包括该色团的非线性光学元件。解决方案是：一种包括给体结构D、π-共轭桥结构B和受体结构A的色团，其中给体结构D包括一个被取代氧基取代的芳基；以及包括该色团的非线性光学元件。
• Use of defined cyclohexenones as agents for the superadditive enhancement of an olfactory impression and fragrance and/or flavor material composition
  申请人：Symrise AG

  公开号：US10045551B2

  公开（公告）日：2018-08-14

  A compound of Formula (I) or of a mixture comprising two, three, four, five, six or a plurality of different compounds of Formula (I) for the superadditive enhancement of an olfactory impression. The invention also relates to novel fragrance and/or flavor material compositions which, in addition to a compound of Formula (I) or a mixture thereof, further contains one, two, three or a plurality of further fragrance and/or flavor materials, the fragrance and/or flavor material or the further fragrance and/or flavor materials not being compound of Formula (I).

  公式(I)的化合物或包含两个、三个、四个、五个、六个或多个不同的公式(I)化合物的混合物，用于超加强嗅觉印象。该发明还涉及新的香味和/或风味材料组合，除了包含公式(I)的化合物或其混合物之外，还进一步含有一种、两种、三种或多种其他香味和/或风味材料，这些香味和/或风味材料或其他香味和/或风味材料不是公式(I)的化合物。
• Reactions of endocyclic linearly conjugated dienolates with Michael acceptors leading to bicyclo[2.2.2]octane derivatives. Application to the synthesis of C13 degradation products of carotenoids
  作者：Nobuhiko Ito、Takeaki Etoh

  DOI：10.1039/p19960002397

  日期：——

  The endocyclic linearly conjugated dienolates from substituted cyclohex-2-enones react with but-3-en-2-one, substituted methyl propenoates, but-3-yn-2-one and methyl propiolate to afford bicyclo[2.2.2]-oct-2-en-1-ols 10a–c, 14a–c and bicyclo[2.2.2]octa-2,5-dien-1-ols 15a,b. The AlCl3-catalysed reaction of 3,5,5-trimethyl-1-(trimethylsiloxy)cyclohexa-1,3-diene 3 with (E)-4-acetoxy- and (E)-4-methoxy-but-3-en-2-one provides trans-8-acetoxy-7-acetyl-3,5,5-trimethyl-1-(trimethylsiloxy)bicyclo[2.2.2]oct-2-enes 22, 23 and trans-7-acetyl-8-methoxy-3,5,5-trimethyl-1-(trimethylsiloxy)bicyclo[2.2.2]oct-2-enes 24, 25. Starting from these bicyclo[2.2.2]octenes, the C13 degradation products of carotenoids including 3-oxo-α-ionone 20, blumenol-C 27 and 1,3,7,7-tetramethyl-2-oxabicyclo[4.4.0]decan-9-one 29 have been synthesized.

  从取代环己烯-2-酮衍生的内周期性线性共轭烯醇盐与丁-3-烯-2-酮、取代甲基丙烯酸酯、丁-3-炔-2-酮和美克丙酸乙酯反应，生成双环[2.2.2]八-2-烯-1-醇10a–c、14a–c和双环[2.2.2]八-2,5-二烯-1-醇15a,b。3,5,5-三甲基-1-(三甲基硅氧基)环己烯-1,3-二烯3与(E)-4-乙氧基和(E)-4-甲氧基-丁-3-烯-2-酮的铝氯化物催化反应生成反式-8-乙氧基-7-乙酰基-3,5,5-三甲基-1-(三甲基硅氧基)双环[2.2.2]八-2-烯22, 23和反式-7-乙酰基-8-甲氧基-3,5,5-三甲基-1-(三甲基硅氧基)双环[2.2.2]八-2-烯24, 25。以这些双环[2.2.2]八烯为起始材料，合成了包括3-氧代-α-紫罗兰酮20、布鲁梅诺-C 27和1,3,7,7-四甲基-2-氧双环[4.4.0]癸-9-酮29在内的类胡萝卜素C13降解产物。
• PHENYLTETRAENE-BASED NONLINEAR OPTICAL CHROMOPHORES
  申请人：Jen Kwan-Yue

  公开号：US20100029953A1

  公开（公告）日：2010-02-04

  Alkoxy-substituted phenyltetraene nonlinear optically active compounds, films and devices that include the compounds, and methods for making and using the compounds, films, and devices.

  含有烷氧基取代苯基四烯非线性光学活性化合物、包括这些化合物的薄膜和器件，以及制备和使用这些化合物、薄膜和器件的方法。
• METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS
  申请人：The Regents of the University of California

  公开号：US20170327448A1

  公开（公告）日：2017-11-16

  Provided herein are methods for producing α,β-unsaturated ketones from the condensation of methyl ketones in the presence of an amine catalyst. Such amine catalysts may be supported, for example, on a silica-alumina support. Such amine catalysts may be used in the presence of an additional acid. The α,β-unsaturated ketones may be produced by dimerization and/or timerization of the methyl ketones. Such α,β-unsaturated ketones may be suitable for use in producing fuels, gasoline additives, and/or lubricants, or precursors thereof. The methyl ketones may be obtained from renewable sources, such as by the fermentation of biomass.

  本文提供了一种制备α，β-不饱和酮的方法，该方法是通过在胺催化剂存在下对甲基酮进行缩合反应实现的。这样的胺催化剂可以被负载在二氧化硅-氧化铝载体上。这样的胺催化剂可以在存在额外酸的情况下使用。α，β-不饱和酮可以通过甲基酮的二聚化和/或三聚化产生。这样的α，β-不饱和酮可适用于生产燃料、汽油添加剂和/或润滑剂，或其前体。甲基酮可以从可再生来源获得，例如通过生物质发酵。