ethyl 2-cyano-2-methyl-3-phenylpropanoate | 104876-35-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-cyano-2-methyl-3-phenylpropanoate
• CAS: 104876-35-9
• 化学式: C₁₃H₁₅NO₂
• mdl: MFCD19350638
• 分子量: 217.268
• InChiKey: REKQIBZXKNXEAX-UHFFFAOYSA-N

物化性质

• 沸点：
  350.9±22.0 °C(Predicted)
• 密度：
  1.077±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 2-cyano-2-methyl-3-phenylpropanoate 在 potassium tert-butylate 作用下， 以 乙醇 、 水 为溶剂， 生成 potassium 2-cyano-2-methyl-3-phenylpropanoate
  参考文献：
  名称：

  用于通过 SN2' 型路线合成 gem-二氟烯烃的高效脱羧/脱氟烷基化

  摘要：

  描述了一种用于合成偕二氟烯烃的有效脱羧/脱氟烷基化反应，为将含有 α-吸电子基团的具有挑战性的烷基片段安装到 α-三氟甲基烯烃中提供了一种通用方法。机理研究表明，该过程涉及在没有过渡金属催化剂或光催化的情况下的 S N 2' 型合成路线。此外，该协议可以很容易地扩大规模，并成功应用于生物活性分子的修饰，从而补充了获得结构通用的gem-二氟烯烃的方法。

  DOI：

  10.1002/cjoc.202100709
• 作为产物：
  描述：

  氯甲酸乙酯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以100%的产率得到ethyl 2-cyano-2-methyl-3-phenylpropanoate
  参考文献：
  名称：

  WO2007/88571

  摘要：

  公开号：

文献信息

• AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN
  申请人：ESTEVE PHARMACEUTICALS, S.A.

  公开号：EP3858439A1

  公开（公告）日：2021-08-04

  The present invention relates to new compounds that show pharmacological activity towards the subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1 subunit of voltage-gated calcium channels or dual activity towards the subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1 subunit of voltage-gated calcium channels, and the µ-opiod receptor (MOR or mu-opioid). The invention is also related to the process for the preparation of said compounds as well as to compositions comprising them, and to their use as medicaments.

  本发明涉及对电压门控钙通道（VGCC）的亚单位α2δ，特别是对电压门控钙通道的α2δ-1亚单位或对电压门控钙通道（VGCC）的亚单位α2δ以及µ-阿片受体（MOR或μ-阿片）显示药理活性的新化合物。该发明还涉及所述化合物的制备方法，以及包含它们的组合物，以及它们作为药物的用途。
• Preparation of W/O nanoemulsion using tandem acoustic emulsification and its novel utilization as a medium for phase-transfer catalytic reaction
  作者：K. Nakabayashi、H. Yanagi、M. Atobe

  DOI：10.1039/c4ra09452b

  日期：——

  We have successfully demonstrated that W/O nanoemulsion prepared by the tandem acoustic emulsification is extremely useful medium for enhancing the rate of phase-transfer catalytic reactions.

  我们已成功证明，通过串联声波乳化制备的W/O纳米乳液是极其有用的介质，可提高相转移催化反应的速率。
• 749. The mechanism of the decarboxylation of substituted malonic acid derivatives
  作者：J. Kenyon、W. A. Ross

  DOI：10.1039/jr9510003407

  日期：——
• The effects of pneumoperitoneum and patient position on hemodynamics during laparoscopic cholecystectomy
  作者：R. Zuckerman、M. Gold、P. Jenkins、L.A. Rauscher、M. Jones、S. Heneghan

  DOI：10.1007/s004640080065

  日期：2001.6

  Background: The purpose of this study was to prospectively examine the combined effects of pneumoperitoneum and the reverse Trendelenberg position on cardiac hemodynamics during laparoscopic cholecystectomy.Methods: Thirty-nine patients undergoing laparoscopic cholecystectomy as performed by a single surgeon were en rolled in the study. Hemodynamic data were collected continuously using a transthoracic bioimpedance monitor. All patients were subjected to insufflation pressures of 15 mmHg. Data were examined using mixed analysis of variance (ANOVA).Results: Cardiac index fell 11% with induction of anesthesia (p < 0.05), with stroke volume decreasing 7.2% (p < 0.05). Insufflation caused significant decreases in stroke volume (SV) left ventricular end diastolic volume (LVEDV) but not cardiac index (CI). Placing the patients in the reverse Trendelenberg position caused no significant changes in these parameters. There were no significant differences between ASA (American Society of Anesthesiologists) classes I and IT patients when compared to ASA III patients.Conclusions: Patients undergoing laparoscopic cholecystectomy experience significant hemodynamic depression. The effect of general anesthesia is the most profound. Insufflation of the abdomen caused more mild hemodynamic effects in our study. The addition of a reverse Trendelenberg position did not alter the patient's hemodynamic status.
• Copper Catalyzed Decarboxylative Alkynylation of Quaternary α-Cyano Acetate Salts
  作者：Yi-Si Feng、Zhong-Qiu Xu、Long Mao、Feng-Feng Zhang、Hua-Jian Xu

  DOI：10.1021/ol400197y

  日期：2013.4.5

  Cu-catalyzed decarboxylative alkynylation of quaternary a-cyano acetate salts with alkynyl bromides and alkynyl chlorides is described. This new reaction can be used for preparing functionalized butynenitrile derivatives.