乙基苯丙酮 | 16819-79-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 乙基苯丙酮
• 英文名称: 1-(2-ethylphenyl)propan-1-one
• 英文别名: 2-ethylpropiophenone；2'-Ethylpropiophenone
• CAS: 16819-79-7
• 化学式: C₁₁H₁₄O
• 分子量: 162.232
• InChiKey: RESNKGBFZAPADB-UHFFFAOYSA-N

物化性质

• 沸点：
  250.2±19.0 °C(Predicted)
• 密度：
  0.98

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

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H312,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  乙基苯丙酮 在 溴 作用下， 以 乙醚 为溶剂， 反应 0.5h， 以75%的产率得到2-bromo-1-(2-ethylphenyl)propan-1-one
  参考文献：
  名称：

  外消旋α-溴酮与芳基锌试剂的催化不对称交叉偶联

  摘要：

  镍盒：已开发出第一种用于将芳基锌试剂与 α-溴酮交叉偶联的催化不对称方法（参见方案）。这种立体会聚的碳-碳键形成过程发生在异常温和的条件下并且没有活化剂，从而允许产生潜在的不稳定的三级立体中心。

  DOI：

  10.1002/anie.200804888
• 作为产物：
  描述：

  1-(o-Ethylphenyl)-1-propanol 在 三氟乙酸酐 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 3.0h， 以83%的产率得到乙基苯丙酮
  参考文献：
  名称：

  一种盐酸乙哌立松杂质F的制备方法

  摘要：

  本发明提供一种盐酸乙哌立松杂质F的制备方法，以2‑溴乙苯为原料，通过格氏反应得到1‑(2‑乙基苯基)丙醇，再通过氧化反应得到2‑乙基苯丙酮，最后2‑乙基苯丙酮和多聚甲醛、哌啶盐酸盐一锅法经过曼尼希反应得到盐酸乙哌立松杂质F，盐酸乙哌立松杂质F结构如式（Ⅰ）所示，采用本发明提供的技术方案所得盐酸乙哌立松杂质F纯度可达99%，可作为对照品用于实验研究。

  公开号：

  CN112390767A

文献信息

• Regioselectivity of the Base-Induced Ring Cleavage of 1-Oxygenated Derivatives of Cyclobutabenzene
  作者：Abha Gokhale、Peter Schiess

  DOI：10.1002/hlca.19980810207

  日期：1998.2.4

  products through distal and/or proximal cleavage of the strained four-membered ring via benzyl carbanion 4 and/or aryl carbanion 5. A systematic study of this process reveals the relative stability of the two isomeric carbanions 4 and 5 as a key factor in determining the course of the ring-cleavage reaction. While benzyl carbanions 4 can be trapped with carbon electrophiles, attempts at trapping aryl

  氧基阴离子3从1,2- dihydrocyclobutabenzen -1-酮生成1通过添加带电荷的亲核试剂的或由1-羟基-1,2- dihydrocyclobutabenzenes 2通过去质子化用碱导致稳定的产品通过远端和/或近端的裂解通过苄基碳负离子4和/或芳基碳负离子5拉紧四元环。对这一过程的系统研究表明，两个同分异构碳负离子4和5的相对稳定性是决定环断裂反应过程的关键因素。而苄基碳负离子4可以被碳亲电试剂捕获，尝试用非H +亲电试剂捕获芳基碳负离子5失败。在质子溶剂中，叔醇2的镁盐与其碱金属盐相比，具有更高的近端裂解速率。由此，我们得出结论，与苄基碳负离子4相比，游离芳基碳负离子5仅是瞬时存在的。近侧C，C-键裂解似乎通过质子化或者发生5从快速，可逆平衡3 ⇌ 5，其中3甚至在质子溶剂中可能占主导地位，甚至可能在芳香族C原子处通过限速质子化3来绕过游离阴离子5。因此，在确定酮1和
• 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]。
• ORGANIC COMPOUNDS AND THEIR USES
  申请人：Brandl Trixl

  公开号：US20100204159A1

  公开（公告）日：2010-08-12

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of human diseases.

  本申请描述了对人类疾病的治疗、预防和/或改善有用的有机化合物。
• An efficient MnCl₂-catalyzed tandem acylation-cross-coupling reaction of<i>o</i>-halobenzoyl chloride with diorganyl magnesium compounds
  作者：Fengmin Zhang、Zhuangzhi Shi、Feng Chen、Yu Yuan

  DOI：10.1002/aoc.1567

  日期：——

  An efficient tandem cross‐coupling reaction of o‐chlorobenzoyl chloride with dialkyl and diaryl magnesium compounds in the presence of manganese (II) chloride was developed, which proceeds in good yield under mild conditions. Copyright © 2009 John Wiley & Sons, Ltd.

  开发了在氯化锰（II）存在下邻氯苯甲酰氯与二烷基和二芳基镁化合物的高效串联交叉偶联反应，该反应在温和条件下以良好的收率进行。版权所有©2009 John Wiley＆Sons，Ltd.

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