2,4-二甲基-3-己酮 | 18641-70-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,4-二甲基-3-己酮
• 英文名称: 2,4-dimethyl-3-hexanone
• 英文别名: 2,4-dimethylhexan-3-one
• CAS: 18641-70-8
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: PZAPVPGZDHJUTO-UHFFFAOYSA-N

物化性质

• 沸点：
  65.5 °C(Press: 50 Torr)
• 密度：
  0.809±0.06 g/cm3(Predicted)
• 保留指数：
  1178
• 稳定性/保质期：
  存在于主流烟气中。

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914190090

反应信息

• 作为反应物：
  描述：

  2,4-二甲基-3-己酮 在 diboron trisulfide 、 potassium tert-butylate 作用下， 以 叔丁醇 、 正戊烷 为溶剂， 反应 2.5h， 生成 2,2,3-Trimethyl-1-isopropyl-1-cyclopropylthiol
  参考文献：
  名称：

  Photochemistry of Aliphatic Thioketones in the Gas Phase

  摘要：

  The solution and gas-phase photophysical and photochemical properties of a series of bicyclic and alicyclic thioketones (apothiocamphor (1), thiocamphor (2), thiofenchone (3), endo-5,6-trimethylene-2-norborneanthione (4), 3,3-diethylbicyclo[3.2.1]octane-2-thione (5), 2,2-diethyl-5,5-dimethylcyclopentanethione (6), 2-ethyl-2,6,6-trimethylcyclohexanethione (7), and 2,4,4-trimethyl-3-hexanethione (8)) are reported. Photolysis in solution typically gives rise to products arising from insertion into beta, gamma, and, in one case (4), delta carbons to form cyclic thiols. This chemistry is analogous to that observed in earlier studies. Novel photochemistry is found in the gas phase where Norrish type II products are also isolated from several substrates (1, 2, 5, 6, and 7). The effect of the quencher gas, butane, on both the spectral and photochemical properties of 2 in the gas phase provide evidence to support the proposal that che Norrish type II chemistry arises from initially populated vibrationally excited levels of S-2.

  DOI：

  10.1021/jp973360q
• 作为产物：
  描述：

  2-甲基丁酸 在 氯化亚砜 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 2,4-二甲基-3-己酮
  参考文献：
  名称：

  Dubois, Jacques-Emile; Lion, Claude; Arouisse, Abdelmajid, Bulletin des Societes Chimiques Belges, 1984, vol. 93, # 12, p. 1083 - 1088

  摘要：

  DOI：

文献信息

• PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES
  申请人：Blumberg Laura Cook

  公开号：US20110319422A1

  公开（公告）日：2011-12-29

  The invention provides a method of sustained delivery of a lactam, imide, amide, sulfonamide, carbamate or urea containing parent drug by administering to a patient an effective amount of a prodrug compound of the invention wherein upon administration to the patient, release of the parent drug from the prodrug is sustained release. Prodrug compounds suitable for use in the methods of the invention are labile conjugates of parent drugs that are derivatized through carbonyl linked prodrug moieties. The prodrug compounds of the invention can be used to treat any condition for which the lactam, imide, amide, sulfonamide, carbamate or urea containing parent drug is useful as a treatment.

  该发明提供了一种持续释放内酰胺、亚酰胺、酰胺、磺胺、碳酸酯或尿素含有母药的方法，通过向患者施用该发明的一种前药化合物的有效量，在向患者施用后，从前药中释放母药是持续释放的。适用于该发明方法的前药化合物是母药的不稳定结合物，通过羰基连接的前药基团进行衍生化。该发明的前药化合物可用于治疗任何需要内酰胺、亚酰胺、酰胺、磺胺、碳酸酯或尿素含有母药作为治疗的情况。
• Formation d'enolates cetoniques par action d'organomagnesiens mixtes dans l'hexamethylphosphorotriamide sur des esters.
  作者：F. Huet、G. Emptoz、A. Jubier

  DOI：10.1016/s0040-4020(01)93321-6

  日期：1973.1

  with aliphatic esters to form predominantly the less substituted ketonic enolates. The direction of these enolizations is more selective than that of intermediate ketones. Aliphatic esters are only slightly or not at all enolized under these conditions. Hydrolysis, deuterolysis and alkylation of the ketonic enolates give the corresponding ketones. Benzoic acid derivatives and α-β unsaturated aliphatic

  HMPA中的烷基卤化镁与脂族酯反应，主要形成取代度较低的酮烯醇酸酯。这些烯醇化的方向比中间酮的方向更具选择性。在这些条件下，脂族酯仅被略微或完全不被烯醇化。酮烯醇酸酯的水解，氘化和烷基化得到相应的酮。苯甲酸衍生物和α-β不饱和脂族和芳族酯只会产生低产率的酮烯醇酸酯。这些烷基卤化镁对中间酮的低烯醇化可以解释这个结果。
• Synthese de cetones aliphatiques encombrees
  作者：C. Lion、J.E. Dubois

  DOI：10.1016/s0040-4020(01)93497-0

  日期：1973.1

  4-dimethyl-2-oxazolines, 4, after hydrolysis of the intermediate enamine. Alkylation of the latter also permits the synthesis of α,α,α-trisubstituted ketones. α,α-Disubstituted ketones have been prepared by addition of organometallic reagents to 4,4-dimethyl-2-oxazolinium salts, 6. The efficiency of this method has been compared to that of other currently used methods.

  α，α-二取代的酮由中间体烯胺水解后有机锂化合物与取代的4,4-二甲基-2-恶唑啉4反应生成。后者的烷基化还允许合成α，α，α-三取代的酮。通过将有机金属试剂添加到4,4-二甲基-2-恶唑啉鎓盐6中，可以制备出α，α-二取代的酮。已将该方法的效率与其他当前使用的方法进行了比较。
• Cleavage Reactions of Alkoxy Radicals Produced by Anodic Oxidation of<i>t</i>-Alcohols
  作者：Kazuhiro Maruyama、Katsuya Murakami

  DOI：10.1246/bcsj.41.1401

  日期：1968.6

  oxidation of t-alcohols in water - dioxane - sodium hydroxide system has been examined. The possibility of production of t-alkoxy radicals by anodic oxidation of t-alcohols in the electrolytic system was found. The relative ease of bond scission of the intermediate t-alkoxy radical was determined by quantitative analysis of the mixture of ketones produced. The relative rates of cleavage decrease in the order:

  研究了叔醇在水-二恶烷-氢氧化钠体系中的阳极氧化。发现了通过电解系统中叔醇的阳极氧化产生叔烷氧基自由基的可能性。通过对所产生的酮混合物进行定量分析来确定中间体叔烷氧基的键断裂的相对容易程度。相对裂解速率依次为：烯丙基>仲丁基>异丙基>乙基>正丙基>正丁基>正戊基>异丁基>甲基。证实了β-氢的超共轭效应和β-位双键对裂解反应速率提高的影响。
• Catalytic synthesis of oxygenate from alcohol
  申请人：Yuan Ze University

  公开号：US07314960B1

  公开（公告）日：2008-01-01

  The present invention discloses a method for catalytic synthesis of oxygenate from alcohol. At first, a feeding material comprising at least one alcohol is provided. Next, a copper-containing catalyst is provided and the catalyst further comprises at least one metal element selected from the group consisting of the following: zinc, magnesium, and aluminum elements. Following that, a catalytic reaction of the feeding material over the copper-containing catalyst is carried out to synthesize at least one oxygenate.

  本发明公开了一种从醇类催化合成氧化物的方法。首先，提供一种包含至少一种醇类的进料材料。接下来，提供含铜催化剂，该催化剂进一步包括以下组中选择的至少一种金属元素：锌、镁和铝元素。随后，在含铜催化剂上进行进料材料的催化反应，以合成至少一种氧化物。

表征谱图