5-苯基己腈 | 36603-29-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-苯基己腈
• 英文名称: 5-phenylhexanonitrile
• 英文别名: 5-phenylhexanenitrile
• CAS: 36603-29-9
• 化学式: C₁₂H₁₅N
• 分子量: 173.258
• InChiKey: MWQUWRWZHPZLOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  305.8±21.0 °C(Predicted)
• 密度：
  0.949±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  trans-4-phenyl-2-pentene 、 1-cyano-1-methyl-2,5-cyclohexadiene 在 四(三苯基膦)钯 、 三(五氟苯基)硼烷 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 为溶剂， 反应 40.0h， 以56%的产率得到5-苯基己腈
  参考文献：
  名称：

  使用 1-甲基环己-2,5-二烯-1-腈协同钯/路易斯酸催化转移氢氰化烯烃和炔烃

  摘要：

  催化转移氢氰化是使用有毒 HCN 气体的氢氰化工艺的一种清洁和安全的替代方法。此类反应提供了获得以烯烃和炔烃为原料的药学上重要的腈衍生物的途径。在此，使用 1-甲基环己-2,5-二烯-1-腈作为良性且易于获得的 HCN 来源，提出了一种高效实用的钯/路易斯酸催化的烯烃和炔烃转移氢氰化反应。大量腈衍生物（> 50 个例子）是由脂肪族和芳香族烯烃制备的，具有良好到优异的抗马尔科夫尼科夫选择性。一系列脂肪族烯烃参与选择性氢氰化反应以提供相应的腈。所介绍的方法可用于内烯烃的链式氢氰化反应，以提供具有良好区域选择性的末端腈。该协议也适用于生物活性分子的后期修饰。

  DOI：

  10.1021/jacs.8b10651

文献信息

• Monoalkylation of Acetonitrile by Primary Alcohols Catalyzed by Iridium Complexes
  作者：Bruno Anxionnat、Domingo Gomez Pardo、Gino Ricci、Janine Cossy

  DOI：10.1021/ol2015972

  日期：2011.8.5

  The monoalkylation of acetonitrile by primary alcohols was achieved in a one-pot sequence in the presence of iridium catalysts. A diversity of nitriles has been obtained from aryl- and alkyl-methanols in excellent yield.

  在铱催化剂的存在下，乙醇被伯醇单烷基化的反应是按一锅法完成的。从芳基和烷基甲醇中获得了各种腈，收率很高。
• Friedel-Crafts alkylation of benzene by normal ?-chloroalkanoic acids and their methyl esters and nitriles
  作者：L. I. Zakharkin、E. V. Anikina

  DOI：10.1007/bf00959375

  日期：1987.2
• METHODS, APPARATUSES, AND SYSTEMS FOR MICROMECHANICAL GAS CHEMICAL SENSING CAPACITOR
  申请人：Lazarus Nathan

  公开号：US20110180884A1

  公开（公告）日：2011-07-28

  A capacitive chemical sensor, along with methods of making and using the sensor are provided. The sensors described herein eliminate undesirable capacitance by etching away the substrate underneath the capacitive chemical sensor, eliminating most of the substrate capacitance and making changes in the chemical-sensitive layer capacitance easier to detect.
• Method, Apparatus, and System for Micromechanical Gas Chemical Sensing Capacitor
  申请人：Fedder Gary

  公开号：US20110316054A1

  公开（公告）日：2011-12-29

  A method for fabrication of capacitive environment sensors is provided in which the sensor elements are integrated in a CMOS structure with electronics through the use of complementary metal oxide semiconductor (CMOS) fabrication methods. Also provided are environment sensors fabricated, for example, by the method, and a measurement system using the environment sensors fabricated by the method. The described method includes etching away one of the metal layers in a CMOS chip to create a cavity. This cavity is then filled with an environment-sensitive dielectric material to form a sensing capacitor between plates formed by the metal adhesion layers or an array of contacts from other metal layers of the CMOS structure. This approach provides improved sensing capabilities in a system that is easily manufactured.
• HIGHLY SELECTIVE CHEMICAL AND BIOLOGICAL SENSORS
  申请人：Potyrailo Radislav Alexandrovich

  公开号：US20120116683A1

  公开（公告）日：2012-05-10

  Methods and sensors for selective fluid sensing are provided. Each sensor includes a resonant inductor-capacitor-resistor (LCR) sensor that is coated with a sensing material. In order to collect data, an impedance spectrum is acquired over a relatively narrow frequency range, such as the resonant frequency range of the LCR circuit. A multivariate signature may be calculated from the acquired spectrum to discern the presence of certain fluids and/or fluid mixtures. The presence of fluids is detected by measuring the changes in dielectric, dimensional, resistance, charge transfer, and other changes in the properties of the materials employed by observing the changes in the resonant electronic properties of the circuit. By using a mathematical procedure, such as principal components analysis (PCA) and others, multiple fluids and mixtures can be detected in the presence of one another, even in a high humidity environment or an environment wherein one or more fluids has a substantially higher concentration (e.g. 10×, 1,000,000×) compared to other components in the mixture.