Methyl 2-Cyano-3-oxo-3-phenylpropanoate | 3239-71-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 2-Cyano-3-oxo-3-phenylpropanoate
• 英文别名: 2-cyano-3-oxo-3-phenyl-propionic acid methyl ester；2-Cyan-3-oxo-3-phenyl-propionsaeure-methylester；Benzoylmalonsaeure-methylester-nitril；Benzoylcyanessigsaeure-methylester
• CAS: 3239-71-2
• 化学式: C₁₁H₉NO₃
• mdl: MFCD14281695
• 分子量: 203.197
• InChiKey: MHXYWUNYSPAWFW-UHFFFAOYSA-N

物化性质

• 熔点：
  75.2 °C(Solv: ethanol (64-17-5))
• 沸点：
  340.9±27.0 °C(Predicted)
• 密度：
  1.211±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  67.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 2-Cyano-3-oxo-3-phenylpropanoate 在 水 、 lithium iodide 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 6.0h， 以91%的产率得到苯甲酰乙腈
  参考文献：
  名称：

  通过顺序的Pd催化的羰基化和脱羧反应一锅合成苯甲酰基乙腈

  摘要：

  苯甲酰基乙腈是通过顺序羰基化和脱羧制备的。使用Mo（CO）6作为一氧化碳源，钯催化芳基碘化物和氰基乙酸甲酯的羰基化反应，生成β-酮基氰基酯，然后与Li / H 2 O进行后续反应，生成所需的苯甲酰基乙腈。

  DOI：

  10.1016/j.tetlet.2015.12.050
• 作为产物：
  描述：

  苯甲酰氯 、 氰乙酸甲酯 在 sodium methylate 作用下， 生成 Methyl 2-Cyano-3-oxo-3-phenylpropanoate
  参考文献：
  名称：

  Barthe, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1888, vol. 106, p. 1417

  摘要：

  DOI：

文献信息

• [EN] THIENOPYRROLES AS ANTIVIRAL AGENTS<br/>[FR] THIENOPYRROLES UTILISES COMME AGENTS ANTIVIRAUX
  申请人：ANGELETTI P IST RICHERCHE BIO

  公开号：WO2005023819A1

  公开（公告）日：2005-03-17

  The present invention relates to thienopyrrole compounds of formula (I); wherein A, B, Y, Ar, n, Z and X1 are as defined herein, and pharmaceutically acceptable salts thereof, useful in the prevention and treatment of hepatitis C infections.

  本发明涉及式(I)的噻吡咯烷化合物；其中A、B、Y、Ar、n、Z和X1如本文所定义，并且其药学上可接受的盐，在预防和治疗丙型肝炎感染中有用。
• Anodic Cyanation of β-Dicarbonyl Compounds
  作者：Mitsuhiro Okimoto、Kaori Numata、Yukio Takahashi、Masayuki Hoshi、Kenta Tomozawa、Takamasa Shigemoto

  DOI：10.1055/s-2005-872685

  日期：——

  β-dicarbonyl compounds were electrochemically oxidized in a methanolic solution in the presence of sodium cyanide and sodium methoxide to yield the corresponding α-cyano-β-dicarbonyl compounds in moderate to good yields. Presumably, a two-electron transfer transforms the anion derived from the β-dicarbonyl compounds into a cation, which then reacts with a cyanide ion to afford the cyanation products.

  在氰化钠和甲醇钠的存在下，几种β-二羰基化合物在甲醇溶液中被电化学氧化，以中等至良好的产率产生相应的α-氰基-β-二羰基化合物。据推测，双电子转移将衍生自 β-二羰基化合物的阴离子转化为阳离子，然后与氰化物离子反应得到氰化产物。
• Thienopyrroles as antiviral agents
  申请人：Attenni Barbara

  公开号：US20090036443A1

  公开（公告）日：2009-02-05

  The present invention relates to thienopyrrole compounds of formula (I); wherein A, B, Y, Ar, n, Z and X 1 are as defined herein, and pharmaceutically acceptable salts thereof, useful in the prevention and treatment of hepatitis C infections.

  本发明涉及式（I）的噻吩吡咯化合物；其中A，B，Y，Ar，n，Z和X1的定义如本文所述，并且其药学上可接受的盐，用于预防和治疗丙型肝炎感染。
• Schmitt, Bulletin de la Societe Chimique de France, 1904, vol. <3> 31, p. 529
  作者：Schmitt

  DOI：——

  日期：——
• Application of time-variable feedback to the input amplifier of pulse magnetic resonance spectrometers: Experimental studies
  作者：A. V. Koptioug、E. J. Reijerse、A. A. K. Klaassen

  DOI：10.1007/bf03166126

  日期：2002.12

  Experimental research on the improvement of the sensitivity and time resolution of pulsed magnetic resonance spectrometers is discussed. It is shown that application of a time-variable feedback of a signal to the input of the receiver amplifier can decouple the "fixed" relationship between the quality factor Q and the ringdown time of the resonance system. Experiments were performed with low-frequency, radio-frequency and microwave pulse-type magnetic resonance receivers. Modifications of an S/C-band electron spin echo modulation spectrometer carried out to check the "time-variable feedback" performance are described. It is demonstrated that the application of a time-variable feedback can significantly reduce the ringdown time and improve the recovery properties of the magnetic resonance receiver system. It is also demonstrated that the time-variable feedback can improve the overall receiver sensitivity due to the fact that the working bandwidth of the resonance system can be optimized separately for the transmitting and the receiving mode. Signal values could be increased at least three times and the signal-to-noise ratio about 1.5-2 times. The largest improvement is achieved with the initially overcoupled resonator. Experimental spectra of test samples for different settings of the time-variable feedback are shown.