4'-Fluoro-3-methylsulfanyl-biphenyl | 748817-99-4

• 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: 4'-Fluoro-3-methylsulfanyl-biphenyl
• 英文别名: (4'-Fluorobiphenyl-3-yl)(methyl)sulfane；1-fluoro-4-(3-methylsulfanylphenyl)benzene
• CAS: 748817-99-4
• 化学式: C₁₃H₁₁FS
• 分子量: 218.295
• InChiKey: DFJIDXPKQCOLEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4'-Fluoro-3-methylsulfanyl-biphenyl 在 三乙基硅烷 、 三甲基氯硅烷 、 palladium dichloride 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以90%的产率得到4-氟联苯
  参考文献：
  名称：

  Pd-catalyzed reductive cleavage of alkyl aryl sulfides with triethylsilane that is accelerated by trialkylsilyl chloride

  摘要：

  The palladium-catalyzed reductive cleavage of alkyl aryl sulfides to afford the corresponding arenes in high yield, which is both accelerated and exhibits increased functional group selectivity in the presence of TMSCI, is described. This ligand-free reaction features mild conditions, easy operation, use of readily available reagents, and high functional group selectivity. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.002
• 作为产物：
  描述：

  3-溴硫代苯甲醚 、 4-氟苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 为溶剂， 以50%的产率得到4'-Fluoro-3-methylsulfanyl-biphenyl
  参考文献：
  名称：

  Novel thiophenes and analogues with anthelmintic activity against Haemonchus contortus

  摘要：

  A new series of analogues of 4-(4-fluorophenyl)-2-methylthio-thiophene-3-carbonitrile (1) were synthesized and evaluated for their in vitro and in vivo anthelmintic activity against Haemonchus contortus. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.044

文献信息

• Pd-catalyzed reductive cleavage of alkyl aryl sulfides with triethylsilane that is accelerated by trialkylsilyl chloride
  作者：Takehiko Matsumura、Takashi Niwa、Masahisa Nakada

  DOI：10.1016/j.tetlet.2012.06.002

  日期：2012.8

  The palladium-catalyzed reductive cleavage of alkyl aryl sulfides to afford the corresponding arenes in high yield, which is both accelerated and exhibits increased functional group selectivity in the presence of TMSCI, is described. This ligand-free reaction features mild conditions, easy operation, use of readily available reagents, and high functional group selectivity. (c) 2012 Elsevier Ltd. All rights reserved.
• Novel thiophenes and analogues with anthelmintic activity against Haemonchus contortus
  作者：Isabel C González、Leon N Davis、Charles K Smith

  DOI：10.1016/j.bmcl.2004.05.044

  日期：2004.8

  A new series of analogues of 4-(4-fluorophenyl)-2-methylthio-thiophene-3-carbonitrile (1) were synthesized and evaluated for their in vitro and in vivo anthelmintic activity against Haemonchus contortus. (C) 2004 Elsevier Ltd. All rights reserved.