4-(2H-chromen-3-yl)benzonitrile | 128723-57-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 4-(2H-chromen-3-yl)benzonitrile
• CAS: 128723-57-9
• 化学式: C₁₆H₁₁NO
• 分子量: 233.269
• InChiKey: UOTWVCRIOFGRTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(2H-chromen-3-yl)benzonitrile 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以92%的产率得到4-Chroman-3-ylbenzonitrile
  参考文献：
  名称：

  Synthesis and antirhinovirus activity of cyano and amidino substituted flavanoids

  摘要：

  Cyano and amidino flavans, isoflavans and 3(2H)-isoflavenes were synthesized in order to study their in vitro antirhinovirus activity, by comparison with the known corresponding chloro derivatives. The activity of the new compounds was evaluated on rhinovirus 1 B infected HeLa cell cultures by examining their ability to interfere with viral cytopathic effect and with plaque formation. It was found that generally the cyano derivatives behave like the chloro compounds, whereas the amidino derivatives show a lower activity, although always dependent on the position of substituent.

  DOI：

  10.1016/0223-5234(90)90191-5
• 作为产物：
  描述：

  3-(4-bromophenyl)-2H-benzopyran 以85%的产率得到
  参考文献：
  名称：

  CONTI, C.;DESIDERI, N.;ORSI, N.;SESTILI, I.;STEIN, M. L., EUR. J. MED. CHEM., 25,(1990) N, C. 725-730

  摘要：

  DOI：

文献信息

• Metal–Ligand Binding Interactions in Rhodium/Palladium-Catalyzed Synthesis of Dihydroquinolines
  作者：Lei Zhang、Jane Panteleev、Mark Lautens

  DOI：10.1021/jo502074s

  日期：2014.12.19

  A domino Rh- and Pd-catalyzed synthesis of dihydroquinolines is disclosed. Two metals and two ligands are placed in one reaction vessel along with the two reactive reagents to afford selective sequential coupling despite the potential for side reactions. In this report, we describe mechanistic investigations attempting to discern the catalystligand interactions occurring in this domino reaction. Through these studies, the reactivity and relative catalyst ligand loadings were successfully tuned to efficiently access the heterocyclic products.
• CONTI, C.;DESIDERI, N.;ORSI, N.;SESTILI, I.;STEIN, M. L., EUR. J. MED. CHEM., 25,(1990) N, C. 725-730
  作者：CONTI, C.、DESIDERI, N.、ORSI, N.、SESTILI, I.、STEIN, M. L.

  DOI：——

  日期：——
• Synthesis and antirhinovirus activity of cyano and amidino substituted flavanoids
  作者：C Conti、N Desideri、N Orsi、I Sestili、ML Stein

  DOI：10.1016/0223-5234(90)90191-5

  日期：1990.11

  Cyano and amidino flavans, isoflavans and 3(2H)-isoflavenes were synthesized in order to study their in vitro antirhinovirus activity, by comparison with the known corresponding chloro derivatives. The activity of the new compounds was evaluated on rhinovirus 1 B infected HeLa cell cultures by examining their ability to interfere with viral cytopathic effect and with plaque formation. It was found that generally the cyano derivatives behave like the chloro compounds, whereas the amidino derivatives show a lower activity, although always dependent on the position of substituent.