ethyl 2-cyano-3-[(4-methylphenyl)amino]acrylate | 59746-98-4

• 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-3-[(4-methylphenyl)amino]acrylate
• 英文别名: 2-cyano-3-p-toluidino-acrylic acid ethyl ester；p-Tolyliminomethyl-malonsaeure-aethylester-nitril；β-p-Toluidino-α-cyan-acrylsaeure-aethylester；β-p-Tolylimino-α-cyan-propionsaeure-aethylester；2-Cyan-3-p-toluidino-acrylsaeure-aethylester；p-Toluidinomethylen-malonsaeure-aethylester-nitril；Ethyl 2-cyano-3-(4-methylanilino)prop-2-enoate
• CAS: 59746-98-4
• 化学式: C₁₃H₁₄N₂O₂
• mdl: MFCD00649341
• 分子量: 230.266
• InChiKey: KDMYZZUPYLVGAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  62.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  ethyl 2-cyano-3-[(4-methylphenyl)amino]acrylate 以 二苯醚 为溶剂， 反应 0.13h， 以56.6%的产率得到6-methyl-4-quinolone-3-carbonitrile
  参考文献：
  名称：

  Microwave-Assisted Simple Synthesis of Substituted 4-Quinolone Derivatives

  摘要：

  A simple and efficient method was developed for the synthesis of 4-quinolone-3-carboxylic esters and 4-quinolone-3-carbonitriles under microwave (MW) activation using anilines and acrylates as materials. All reactions demonstrated the benefits of microwave reactions: convenient operation, short reaction time, and good yields.

  DOI：

  10.1080/00397910902906503
• 作为产物：
  描述：

  氰乙酸乙酯 、 N,N'-di-p-tolylformamidine 生成 ethyl 2-cyano-3-[(4-methylphenyl)amino]acrylate
  参考文献：
  名称：

  Dains, Chemische Berichte, 1902, vol. 35, p. 2500

  摘要：

  DOI：

文献信息

• 3-Aminoiminoacrylate, 3-Aminoacrylate, and 3-Amidoiminomalonate Complexes as Catalysts for the Dimerization of Olefins
  作者：Martin E. Bluhm、Cristina Folli、Daniela Pufky、Mario Kröger、Olaf Walter、Manfred Döring

  DOI：10.1021/om049075s

  日期：2005.8.1

  Nickel(II)-aminoacrylate, -aminoiminoacrylate, and -amidoiminomalonate complexes 1-4 are suitable precursors together with appropriate cocatalysts for the catalytic dimerization of ethylene, propylene, and alpha-olefins with short chain lengths such as 1-hexene. Suitable ligands IV-VI, VIII, X, and XII generate nickel(II) compounds 1-4 active for these catalytic dimerizations. The influence of different substituents attached to the coordinating ligand backbone is tested in the catalytic reactions. Several novel monodentate and chelate nickel(II) precursor complexes 1 and 3 were isolated and also characterized by X-ray structure analysis.
• Dains, Chemische Berichte, 1902, vol. 35, p. 2500
  作者：Dains

  DOI：——

  日期：——
• Microwave-Assisted Simple Synthesis of Substituted 4-Quinolone Derivatives
  作者：Xin Cao、Qi-Dong You、Zhi-Yu Li、Yan Yang、Xiao-Jian Wang

  DOI：10.1080/00397910902906503

  日期：2009.11.18

  A simple and efficient method was developed for the synthesis of 4-quinolone-3-carboxylic esters and 4-quinolone-3-carbonitriles under microwave (MW) activation using anilines and acrylates as materials. All reactions demonstrated the benefits of microwave reactions: convenient operation, short reaction time, and good yields.