2-丙基苯乙酮 | 58632-83-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-丙基苯乙酮
• 英文名称: 1-(2-propylphenyl)ethan-1-one
• 英文别名: 2'-Propylacetophenone；1-(2-propylphenyl)ethanone
• CAS: 58632-83-0
• 化学式: C₁₁H₁₄O
• 分子量: 162.232
• InChiKey: IBSDEQJERNHTCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 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-丙基苯乙酮 在 diethylene glycol monosodium salt 、 二乙二醇 作用下， 生成 1-乙基-2-丙基苯
  参考文献：
  名称：

  Elsner et al., Journal of the Chemical Society, 1957, p. 578,580

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2-烯丙基苯基)乙酮 在 1,4-二氧六环 、 bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 1,2-双(二环己基磷基)-乙烷 作用下， 反应 10.0h， 以98%的产率得到2-丙基苯乙酮
  参考文献：
  名称：

  1,4-二恶烷作为氢供体的铱催化烯烃选择性转移加氢

  摘要：

  描述了使用1，4-二恶烷作为氢供体的铱催化的烯烃的转移加氢。1,2-双（二环己基膦基）乙烷（DCyPE）的使用具有体积大和给电子高的特性，因此具有很高的催化活性。聚苯乙烯交联双膦PS-DPPBz产生了可重复使用的非均相催化剂。这些均质和非均质的方案实现了烯烃在其他可能还原的官能团（例如同一分子中的羰基，硝基，氰基和亚氨基）上的化学选择性转移加氢。

  DOI：

  10.1021/acs.orglett.9b01989

文献信息

• Synthesis and biological activity of some triazole-bearing benzimidazole derivatives
  作者：K.F. Ansari、C. Lal、R.K. Khitoliya

  DOI：10.2298/jsc100301029a

  日期：——

  A number of N'-[(aryl)methylidene]-2-(2-methyl-1H-benzimidazol- 1-yl)acetohydrazide and 4-(aryl)-5-[(2-methyl-1H-benzimidazol- 1-yl)methyl]-4H-1,2,4-triazole-3-thiol derivatives were synthesized by incorporating various aromatic and heterocyclic substituents on 2-methyl-1H-benzimidazole. The structures of all the synthesized compounds were elucidated based on their elemental analyses and spectral data. The in vitro activities of these compounds against bacteria and fungi were evaluated by the disc diffusion and the minimum inhibitory concentration (MIC) methods. Some of the synthesized derivatives were found to be as active as kanamycin (standard drug).

  一些 N'-[（芳基）亚甲基]-2-（2-甲基-1H-苯并咪唑- 1-基)乙酰肼和 4-(芳基)-5-[(2-甲基-1H-苯并咪唑- 1-基)甲基]-4H-1,2,4-三唑-3-硫醇衍生物的合成。 在 2-甲基-1H-苯并咪唑-1-基上加入各种芳香族和杂环取代基，合成了 2-甲基-1H-苯并咪唑。所有合成化合物的结构 根据元素分析和光谱数据阐明了所有合成化合物的结构。这些化合物的 对细菌和真菌的体外活性进行了评估。 盘扩散法和最低抑菌浓度 (MIC) 法评估了这些化合物对细菌和真菌的体外活性。 发现一些合成衍生物的活性与卡那霉素（标准药物）相当。 (标准药物）一样有效。
• Cobalt-Catalyzed Ortho Alkylation of Aromatic Imines with Primary and Secondary Alkyl Halides
  作者：Ke Gao、Naohiko Yoshikai

  DOI：10.1021/ja403759x

  日期：2013.6.26

  alkylation of aromatic imines with alkyl chlorides and bromides, which allows the introduction of a variety of primary and secondary alkyl groups at room temperature. The stereochemical outcomes of the reaction of secondary alkyl halides suggest that the present reaction involves single-electron transfer from a cobalt species to the alkyl halide to generate the corresponding alkyl radical. A cycloalkylated

  我们在这里报告了钴-N-杂环卡宾催化系统，用于芳族亚胺与烷基氯化物和溴化物的邻位烷基化，它允许在室温下引入各种伯和仲烷基。仲烷基卤化物反应的立体化学结果表明，本反应涉及从钴物种到烷基卤化物的单电子转移以生成相应的烷基自由基。通过该方法获得的环烷基化产物可以通过操纵导向和环烷基转化为独特的螺环。
• Investigations of the generality of quaternary ammonium salts as alkylating agents in direct C–H alkylation reactions: solid alternatives for gaseous olefins
  作者：David Schönbauer、Manuel Spettel、Robert Pollice、Ernst Pittenauer、Michael Schnürch

  DOI：10.1039/c9ob00243j

  日期：——

  C–H alkylation reactions using short chain olefins as alkylating agents could be operationally simplified on the lab scale by using quaternary ammonium salts as precursors for these gaseous reagents: Hofmann elimination delivers in situ the desired alkenes with the advantage that the alkene concentration in the liquid phase is high. In case a catalytic system did not tolerate the conditions for Hofmann

  通过使用季铵盐作为这些气态试剂的前体，可以在实验室规模上简化使用短链烯烃作为烷基化剂的C–H烷基化反应：霍夫曼消除法原位递送所需的烯烃，其优点是液体中的烯烃浓度相位高。如果催化体系不能耐受霍夫曼消除的条件，则可以实现霍夫曼消除和直接烷基化这两个反应的非常简单的空间分离，从而避免可能的副反应或催化剂失活。另外，可以通过使用这种方法来鉴定铑（I）介导的烷基化反应的真正催化活性的种类。
• METHOD FOR PRODUCING CYCLOHEXYL ALKYL KETONES
  申请人：Nishiuchi Junya

  公开号：US20120178970A1

  公开（公告）日：2012-07-12

  Provided is an industrially superior method for producing cyclohexyl alkyl ketones, which solves the problems in process reduction and in disposal of wastes such as metals. An aromatic ketone represented by a formula (1) is nuclear-hydrogenated with pressurized hydrogen and in the presence of a solvent at a temperature of from 20 to 120° C., in the presence of a catalyst that carries from 0.1 to 20% by weight of a ruthenium atom on the carrier, thereby producing a cyclohexyl alkyl ketone represented by a formula (2): provided that, in the formula (2), n indicates an integer of from 1 to 3; R represents a hydroxyl group, a cyclohexyl group, an alkyl group having from 1 to 4 carbon atoms, or an acyl group having from 1 to 4 carbon atoms

  提供了一种在工业上优越的生产环己基烷基酮的方法，解决了在过程减少和处理废物（如金属）方面的问题。通过在20至120°C的温度下，在有溶剂存在的情况下使用加压氢气进行核氢化，存在携带从0.1到20%重量的钌原子的催化剂，从而产生一个由式（2）表示的环己基烷基酮：其中，在式（2）中，n表示1到3之间的整数；R代表一个羟基、一个环己基、一个含有1至4个碳原子的烷基或一个含有1至4个碳原子的酰基。
• PROCESS FOR PREPARATION OF NORBORNENE DERIVATIVES
  申请人：JX Nippon Oil & Energy Corporation

  公开号：EP2444386A1

  公开（公告）日：2012-04-25

  A method for producing a norbornene derivative, comprising: a first step of forming a Mannich base by reacting a carbonyl compound and an amine compound with each other in an acidic solvent, to thereby obtain a reaction liquid comprising the Mannich base in the acidic solvent, the acidic solvent comprising a formaldehyde derivative and 0.01 mol/L or more of an acid represented by the formula: HX (In the formula, X represents F or the like), the carbonyl compound being represented by any of the following general formulae (1) to (3): [in formulae (1) to (3), R1, R2, R3, R4, R5, and R6 each independently represent a hydrogen atom or the like, and n represents an integer of any of 0 to 4], the amine compound being represented by the following general formula (4): [in the formula (4), R7S each independently represent a linear chain saturated hydrocarbon group having 1 to 20 carbon atoms or the like, and X- represents F- or the like], the Mannich base being represented by any of the following general formulae (5) to (7): [R1, R2, R3, R4, R5, R6, and n in the formulae (5) to (7) have the same meanings as those of R1, R2, R3, R4, R5, R6, and n in the formulae (1) to (3), and R7 and X- in the formulae (5) to (7) have the same meanings as those of R7 and X- in the formula (4)] and a second step of reacting the Mannich base and a diene compound with each other by adding an organic solvent, a base in an amount of 1.0 to 20.0 equivalents to the acid, and the diene compound to the reaction liquid, and then heating the reaction liquid, to thereby form a norbornene derivative, the diene compound being represented by the following general formula (8): [in the formula (8), R8 represents a hydrogen atom or the like], the norbornene derivative being represented by any of the following general formulae (9) to (11): [R1, R2, R3, R4, R5, R6, and n in the formulae (9) to (11) have the same meanings as those of R1, R2, R3, R4, R5, R6, and n in the formulae (1) to (3), and R8 in the formulae (9) to (11) has the same meaning as that of R8 in the formula (8)].

  一种制备去氢莰烯衍生物的方法，包括以下步骤：第一步，在酸性溶剂中使羰基化合物和胺基化合物反应，形成曼尼希碱，从而在酸性溶剂中获得包含曼尼希碱的反应液，所述酸性溶剂包括甲醛衍生物和代表为HX的酸，其中HX中的X代表F或类似物，所述羰基化合物由以下通式（1）至（3）中的任一通式表示：[在通式（1）至（3）中，R1、R2、R3、R4、R5和R6各自独立地代表氢原子或类似物，n代表0至4中的任一整数]，所述胺基化合物由以下通式（4）表示：[在通式（4）中，R7S各自独立地代表具有1至20个碳原子或类似物的线性链饱和碳氢基团，X-代表F-或类似物]，所述曼尼希碱由以下通式（5）至（7）中的任一通式表示：[在通式（5）至（7）中，R1、R2、R3、R4、R5、R6和n的含义与通式（1）至（3）中的R1、R2、R3、R4、R5、R6和n的含义相同，通式（5）至（7）中的R7和X-的含义与通式（4）中的R7和X-的含义相同]；第二步，通过向反应液中加入有机溶剂、相当于酸的1.0至20.0当量的碱和二烯化合物，然后加热反应液，使曼尼希碱与二烯化合物发生反应，从而形成去氢莰烯衍生物，所述二烯化合物由以下通式（8）表示：[在通式（8）中，R8代表氢原子或类似物]，所述去氢莰烯衍生物由以下通式（9）至（11）中的任一通式表示：[在通式（9）至（11）中，R1、R2、R3、R4、R5、R6和n的含义与通式（1）至（3）中的R1、R2、R3、R4、R5、R6和n的含义相同，通式（9）至（11）中的R8的含义与通式（8）中的R8的含义相同]。