2-乙基-环己-2-烯酮 | 31863-60-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-乙基-环己-2-烯酮
• 英文名称: 2-ethyl-2-cyclohexen-1-one
• 英文别名: 2-Ethyl-cyclohex-2-enone；2-ethyl-2-cyclohexenone；2-ethylcyclohexenone；2-Aethyl-cyclohex-2-enon；2-Ethyl-cyclohexen-(2)-on-(1)；2-Ethylcyclohex-2-en-1-one
• CAS: 31863-60-2
• 化学式: C₈H₁₂O
• 分子量: 124.183
• InChiKey: AHAATKOSNXIXCX-UHFFFAOYSA-N

物化性质

• 沸点：
  72-78 °C(Press: 20 Torr)
• 密度：
  0.942±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 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-乙基-环己-2-烯酮 在 二异丁基氢化铝 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 生成 反式-2-壬烯酸
  参考文献：
  名称：

  通过2，3-环氧环烷醇的非羟醛羟醛重排容易地合成顺-2-烷基-3-三烷基甲硅烷基氧基环烷酮。

  摘要：

  甲硅烷基由三氟甲磺酸酯促进的顺式-2,3-环氧环烷醇A的重排，是通过环烯丙基醇的环氧化再进行甲硅烷基化而制得的，具有良好的收率（约70-75％），顺式-2-烷基-3-甲硅烷基氧基环烷酮B，大概是通过中间体C和D进行的，即使存在相当大的α取代基（例如叔丁基）也是如此。最后，已经证明环氧醇的立体化学是至关重要的，正如人们从机理中所期望的那样。

  DOI：

  10.1021/ol800423m
• 作为产物：
  描述：

  trans-Hepten-(4)-carbonsaeure-(1) 在 PPA 作用下， 生成 2-乙基-环己-2-烯酮
  参考文献：
  名称：

  602.还原的环状化合物。第四部分 某些烯酸的分子内酰化

  摘要：

  DOI：

  10.1039/jr9580002955

文献信息

• (2-hydroxy)ethyl-thioureas useful as modulators of alpha2B adrenergic receptors
  申请人：ALLERGAN SALES, INC.

  公开号：US20020161051A1

  公开（公告）日：2002-10-31

  Compounds of formula (i) and of formula (ii) 1 wherein the symbols have the meaning disclosed in the specification, specifically or selectively modulate &agr; 2B and/or &agr; 2C adrenergic receptors in preference over &agr; 2A adrenergic receptors, and as such are useful for alleviating chronic pain and allodynia and have no or only minimal cardivascular and/or sedatory activity.

  式（i）和式（ii）的化合物 其中符号的含义在说明书中披露，特别或选择性地调节&agr; 2B 和/或&agr; 2C 肾上腺素受体，优先于&agr; 2A 肾上腺素受体，因此对缓解慢性疼痛和触痛有用，并且几乎没有或只有极小的心血管和/或镇静活性。
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• [EN] 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS<br/>[FR] IMIDAZOLE-2-ONES ET IMIDAZOLE-2-THIONES 4 SUBSTITUES COMME AGONISTES DES ADRENO-RECEPTEURS ALPHA-2B ET ALPHA-2C
  申请人：ALLERGAN INC

  公开号：WO2003099795A1

  公开（公告）日：2003-12-04

  Compounds of Formula (I): where X is S and the variables have the meaning defined in the specification are specific or selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors, and as such have no or only minimal cardivascular and/or sedatory activity. These compounds of Formula (I) are useful as medicaments in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha2B adrenergic receptors. Compounds of Formula (I) where X is O also have the advantageous property that they have no or only minimal cardivascular and/or sedatory activity and are useful for treating pain and other conditions with no or only minimal cardivascular and/or sedatory activity.

  式(I)的化合物：其中X为S，变量的含义如规范中定义的那样，对alpha2B和/或alpha2C肾上腺素受体具有特异性或选择性，优先于alpha2A肾上腺素受体，并且因此具有无或仅有极小的心血管和/或镇静活性。这些式(I)的化合物在哺乳动物，包括人类中，作为药物用于治疗对alpha2B肾上腺素受体激动剂治疗有响应的疾病和/或缓解症状是有用的。式(I)的化合物，其中X为O，还具有有利的特性，即它们具有无或仅有极小的心血管和/或镇静活性，并且适用于治疗无或仅有极小的心血管和/或镇静活性的疼痛和其他症状。
• Fused-ring alkane fuel and photocatalytic preparation process thereof
  申请人：TIANJIN UNIVERSITY

  公开号：US20200181040A1

  公开（公告）日：2020-06-11

  A process for preparing a fused-ring alkane fuel, wherein the fused-ring alkane fuel has the following structure: wherein n is 1 or 2; R 1 , R 2 , R 3 , R 4 and R 5 are H or —CH 3 or —CH 2 CH 3 ; the fused-ring alkane fuel has a density of greater than 0.870 g/cm 3 , a freezing point of not higher than −50° C., and a net mass heat value of not less than 42.0 MJ/kg; the process for preparing a fused-ring alkane fuel, wherein the process includes steps of: (1) in a presence of ultraviolet light and a photocatalyst, a Diels-Alder cycloaddition reaction between a substituted or unsubstituted cyclic enone and a substituted or unsubstituted furan molecule occurs to produce a fuel precursor molecule: (2) the fuel precursor molecule obtained in the step (1) is subjected to hydrodeoxygenation to produce the fused-ring alkane fuel.

  制备融合环烷烃燃料的过程，其中融合环烷烃燃料具有以下结构： 其中n为1或2；R1、R2、R3、R4和R5为H或—CH3或—CH2CH3； 融合环烷烃燃料的密度大于0.870 g/cm3，冰点不高于−50°C，净质量热值不低于42.0 MJ/kg；制备融合环烷烃燃料的过程，其中该过程包括以下步骤：(1) 在紫外光和光催化剂的存在下，取代或未取代的环烯酮与取代或未取代的呋喃分子之间发生 Diels-Alder 环加成反应，产生燃料前体分子： (2) 在步骤(1)中获得的燃料前体分子经过脱氧反应制备融合环烷烃燃料。
• Synthesis of Functionalized Cyclopentenecarboxaldehydes
  作者：S. Canonica、M. Ferrari、G. Jommi、M. Sisti

  DOI：10.1055/s-1988-27674

  日期：——

  Ozonolysis of the ethylene acetals of 2-substituted 2-cyclohexenones followed by cyclization of the intermediate 1,6-dicarbonyl compounds affords 6-substituted 7-formyl-1,4-dioxaspiro[4,4]non-6-enes in modest yields. The same procedure applied to protected 2-substituted 2-cyclohexenols gives 2-substituted 3-formyl-2-cyclopentenyl 2-methoxyethoxymethyl ethers in satisfactory yields.

  2-取代的2-环己烯酮的乙烯缩醛的臭氧分解，随后对中间体1,6-二羰基化合物进行环化，能够以适度的产率得到6-取代的7-甲醛-1,4-二氧杂螺[4,4]九烯-6-烯。同样的步骤应用于保护的2-取代2-环己烯醇时，可以令人满意的产率得到2-取代的3-甲醛-2-环戊烯基2-甲氧基乙氧甲基醚。

表征谱图