4'-chloro-2'-fluorobiphenyl-2-carbonitrile | 1238333-72-6

• 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: 4'-chloro-2'-fluorobiphenyl-2-carbonitrile
• 英文别名: 2-(4-Chloro-2-fluorophenyl)benzonitrile；2-(4-chloro-2-fluorophenyl)benzonitrile
• CAS: 1238333-72-6
• 化学式: C₁₃H₇ClFN
• 分子量: 231.657
• InChiKey: NBRXUVAECSALBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4'-chloro-2'-fluorobiphenyl-2-carbonitrile 在 potassium hydroxide 、 盐酸 作用下， 以 叔丁醇 、 水 为溶剂， 反应 0.33h， 以99%的产率得到3-chlorophenanthridin-6(5H)-one
  参考文献：
  名称：

  General method for the synthesis of substituted phenanthridin-6(5H)-ones using a KOH-mediated anionic ring closure as the key step

  摘要：

  Substituted phenanthridin-6(5H)-ones were obtained in a two-step procedure involving a Suzuki cross-coupling reaction followed by a KOH-mediated anionic ring closure. The influence of the nature and the position of the substituents on the cyclization step were studied. This methodology offers a general and practical route to diversely substituted phenanthridin-6(5H)-ones. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.05.014
• 作为产物：
  描述：

  4-氯-2-氟-1-碘苯 、 2-苯甲腈硼酸频哪酯 在 四(三苯基膦)钯 、 caesium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 1.0h， 以57%的产率得到4'-chloro-2'-fluorobiphenyl-2-carbonitrile
  参考文献：
  名称：

  General method for the synthesis of substituted phenanthridin-6(5H)-ones using a KOH-mediated anionic ring closure as the key step

  摘要：

  Substituted phenanthridin-6(5H)-ones were obtained in a two-step procedure involving a Suzuki cross-coupling reaction followed by a KOH-mediated anionic ring closure. The influence of the nature and the position of the substituents on the cyclization step were studied. This methodology offers a general and practical route to diversely substituted phenanthridin-6(5H)-ones. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.05.014

文献信息

• General method for the synthesis of substituted phenanthridin-6(5H)-ones using a KOH-mediated anionic ring closure as the key step
  作者：Emmanuelle Dubost、Rosa Magnelli、Thomas Cailly、Rémi Legay、Frédéric Fabis、Sylvain Rault

  DOI：10.1016/j.tet.2010.05.014

  日期：2010.7

  Substituted phenanthridin-6(5H)-ones were obtained in a two-step procedure involving a Suzuki cross-coupling reaction followed by a KOH-mediated anionic ring closure. The influence of the nature and the position of the substituents on the cyclization step were studied. This methodology offers a general and practical route to diversely substituted phenanthridin-6(5H)-ones. (C) 2010 Elsevier Ltd. All rights reserved.