2-cyano-3-(2'-methoxy-1'-phenyl)acrylic acid | 49711-50-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-cyano-3-(2'-methoxy-1'-phenyl)acrylic acid
• 英文别名: o-methoxybenzylidenecyanoacetic acid；2-cyano-3t-(2-methoxy-phenyl)-acrylic acid；2-Cyan-3t-(2-methoxy-phenyl)-acrylsaeure；3t-(2-Methoxy-phenyl)-2-cyan-acrylsaeure；E-2-Methoxybenzylidencyanessigsaeure；2-Cyano-3-(2-methoxyphenyl)acrylic acid；(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoic acid
• CAS: 49711-50-4
• 化学式: C₁₁H₉NO₃
• 分子量: 203.197
• InChiKey: MLSFNPJOOCGHKT-RMKNXTFCSA-N

物化性质

• 熔点：
  211-212 °C(Solv: ethanol (64-17-5))
• 沸点：
  375.6±32.0 °C(Predicted)
• 密度：
  1.280±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  70.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-cyano-3-(2'-methoxy-1'-phenyl)acrylic acid 在 sodium hypochlorite 作用下， 生成 2-甲氧基苯乙酸
  参考文献：
  名称：

  McRae; Hopkins, Canadian Journal of Research, 1932, vol. 7, p. 248,255

  摘要：

  DOI：
• 作为产物：
  描述：

  3-cyano-2-iminocoumarin 在 盐酸 、 sodium hydroxide 作用下， 生成 2-cyano-3-(2'-methoxy-1'-phenyl)acrylic acid
  参考文献：
  名称：

  22.亚芳基氰基乙酸和芳基亚芳基乙腈的立体化学

  摘要：

  DOI：

  10.1039/jr9530000119

文献信息

• Dave; Nargund, Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, 1938, vol. 7/, p. 196,199
  作者：Dave、Nargund

  DOI：——

  日期：——
• Dore,J.-C. et al., Chimica Therapeutica, 1973, vol. 8, p. 80 - 84
  作者：Dore,J.-C. et al.

  DOI：——

  日期：——
• Knoevenagel Condensation in Heterogeneous phase Catalyzed by IR Radiation and Tonsil Actisil FF
  作者：Esteban Obrador、Martín Castro、Joaquín Tamaríz、Gerardo Zepeda、RenéMiranda、Francisco Delgado

  DOI：10.1080/00397919808004530

  日期：1998.12

  Infrared radiation promoted the synthesis of benzylidenemalononitriles, benzylidenecyanoacetamides and benzylidenecyanoacetic acids by condensation of aromatic aldehydes with the corresponding active methylene compound in the presence of Tonsil Actisil FF, without solvent Mass of catalyst, solvent and reaction time were assessed in order to improve the efficiency of this process.
• Sharma; Kaur; Bhatia, Journal of the Indian Chemical Society, 1989, vol. 66, # 11, p. 829 - 831
  作者：Sharma、Kaur、Bhatia

  DOI：——

  日期：——
• [EN] LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM<br/>[FR] LIGANDS QUI CIBLENT DES SITES DE LIAISON DE E2 DE VHC SUR CD81 ET PROCÉDÉS THÉRAPEUTIQUES LES EMPLOYANT
  申请人：AZZAZY HASSAN

  公开号：WO2014081856A2

  公开（公告）日：2014-05-30

  Ligands that target the HCV-E2 binding site and methods of making and using them. A series of ligand binding sites on the large extracellular loop of the open conformation of CD81 have been identified. Several important sites were located in regions identified by mutational studies to be the site of E2 binding. Ligands that recognize these sites were identified. Linking together two or three ligands that bind with low or moderate affinities to different structurally unique sites on a target protein were used to generate small molecule ligand conjugates that exhibit very high affinities to their CD81 targets. Hybrid ligand molecules were also designed using fragment-based drug design methods to generate analogs of the ligands that bind more tightly to the protein than the parent compounds. Identification and design of groups of compounds that bind to CD81 for use as therapeutics for treating patients infected by Hepatitis C virus and other viruses that interact with CD81. By binding to CD81, these molecules can block 1) HCV and other viral entry into cells (infection), 2) inflammatory responses caused by HCV and other viral infections, and 3) the induction of HCV associated cancers.