1-(p-Acetylphenyl)-1-pentanone | 79784-59-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(p-Acetylphenyl)-1-pentanone
• 英文别名: p-acetylvalerophenone；1-(4-acetylphenyl)pentan-1-one
• CAS: 79784-59-1
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: RBUDWHJNMLOPJQ-UHFFFAOYSA-N

物化性质

• 沸点：
  341.4±25.0 °C(Predicted)
• 密度：
  1.011±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(p-Acetylphenyl)-1-pentanone 以 苯 为溶剂， 生成 1,4-二乙酰苯
  参考文献：
  名称：

  Deactivation of triplet phenyl alkyl ketones by conjugatively electron-withdrawing substituents

  摘要：

  DOI：

  10.1021/ja00414a048
• 作为产物：
  描述：

  对氰基苯乙酮 在 对甲苯磺酸 、 magnesium 作用下， 以 乙醚 、 苯 为溶剂， 反应 6.0h， 生成 1-(p-Acetylphenyl)-1-pentanone
  参考文献：
  名称：

  Deactivation of triplet phenyl alkyl ketones by conjugatively electron-withdrawing substituents

  摘要：

  DOI：

  10.1021/ja00414a048

文献信息

• Pd-Catalyzed Carbonylative Cross-Coupling Reactions by Triorganoindiums:  Highly Efficient Transfer of Organic Groups Attached to Indium under Atmospheric Pressure
  作者：Phil Ho Lee、Sung Wook Lee、Kooyeon Lee

  DOI：10.1021/ol034167j

  日期：2003.4.1

  [reaction: see text] A highly atom-efficient synthetic method of unsymmetrical ketones was developed by using trialkyl- and triarylindiums, which could be employed as effective cross-coupling partners in Pd-catalyzed carbonylative cross-coupling reactions with a variety of organic electrophiles. The present method produced unsymmetrical ketones and 1,4-diacylbenzenes in good yields with highly efficient

  [反应：参见文本]通过使用三烷基和三芳基鎓化合物开发了一种高度原子效率的不对称酮合成方法，该方法可作为Pd催化的羰基交叉偶联反应与多种有机亲电试剂的有效交叉偶联伙伴。 。本方法以高收率生产不对称的酮和1,4-二酰基苯，并且在66°C的THF中在CO气体的大气压下，高效地转移了几乎所有附着在铟上的有机基团。
• A phosphine-free, heterogeneous palladium-catalyzed atom-efficient carbonylative cross-coupling of triorganoindiums with aryl halides leading to unsymmetrical ketones
  作者：Shengyong You、Ruian Xiao、Haiyi Liu、Mingzhong Cai

  DOI：10.1039/c7nj02969a

  日期：——

  The first phosphine-free heterogeneous palladium-catalyzed carbonylative cross-coupling of aryl halides with triorganoindiums has been developed that proceeds smoothly under 1 or 2.5 atm of carbon monoxide in THF at 68 °C and provides a general and powerful tool for the synthesis of various valuable unsymmetrical ketones with high atom-economy, good yield, and recyclability of the catalyst. Our system

  已经开发出了第一个不含膦的多官能钯催化的芳基卤化物与三有机铟的羰基交叉偶联反应，该反应在68°C的THF中在1或2.5 atm的一氧化碳下可以平稳地进行，并提供了一种通用而强大的工具来合成各种有价值的不对称酮，具有高原子经济性，良好的收率和催化剂的可回收性。我们的系统不仅避免使用膦配体，而且解决了钯催化剂回收和再利用的基本问题。
• NEW NUCLEOPHILE-REACTIVE SULFONATED COMPOUNDS FOR THE (RADIO)LABELLING OF (BIO) MOLECULES; PRECURSORS AND CONJUGATES THEREOF
  申请人：ADVANCED ACCELERATOR APPLICATIONS

  公开号：US20150284326A1

  公开（公告）日：2015-10-08

  Nucleophile-reactive sulfonated compounds used as precursors to (radio)labelled (bio)molecules are produced by pre-introduction of a nucleophilic compound R* through an unusual nucleophile-induced ring-opening reaction of the sultone moiety of the precursor. The precursors and compounds conform to respective formulae (Ip) and (I): Also disclosed are methods for producing these precursors and compounds, as well as for conjugation of these compounds with (bio)molecules, and to the drugs obtained by this method.

  使用亲核试剂反应的磺化化合物作为（放射性）标记的（生物）分子的前体，通过预先引入亲核试剂R*，通过前体的磺酸酯部分的非常规亲核试剂诱导的环开启反应制备。前体和化合物符合各自的公式（Ip）和（I）。还公开了制备这些前体和化合物的方法，以及将这些化合物与（生物）分子结合的方法，以及通过该方法获得的药物。
• The direct formation of functionalized alkyl(aryl)zinc halides by oxidative addition of highly reactive zinc with organic halides and their reactions with acid chlorides, .alpha.,.beta.-unsaturated ketones, and allylic, aryl, and vinyl halides
  作者：Lishan Zhu、Richard M. Wehmeyer、Reuben D. Rieke

  DOI：10.1021/jo00004a021

  日期：1991.2

  Highly reactive zinc, prepared by the lithium naphthalenide reduction of ZnCl2, readily undergoes oxidative addition to alkyl, aryl, and vinyl halides under mild conditions to generate the corresponding organozinc compounds in excellent yields. Significantly, the reaction will tolerate a spectrum of functional groups on the organic halides. Accordingly, this approach can now be used to prepare a wide variety of highly functionalized organozinc compounds. In the presence of Cu(I) salts, the organozinc compounds cross-couple with acid chlorides, conjugatively add to alpha,beta-unsaturated ketones, and regioselectively undergo S(N)2' substitution reactions with allylic halides. They also cross-couple with aryl or vinyl halides with Pd(0) catalysts.
• Polyamide Resin Composition with Excellent Reflectivity, Heat Resistance, and Water Resistance
  申请人：Cheil Industries Inc.

  公开号：US20130281587A1

  公开（公告）日：2013-10-24

  A polyamide resin composition includes (A) polyamide resin, (B) white pigment, and (C) sodium phosphate salt.