4-Hydroxy-3-methoxy-2-methylsulfanylbenzonitrile | 1245744-69-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-Hydroxy-3-methoxy-2-methylsulfanylbenzonitrile
• 英文别名: 4-hydroxy-3-methoxy-2-methylsulfanylbenzonitrile
• CAS: 1245744-69-7
• 化学式: C₉H₉NO₂S
• 分子量: 195.242
• InChiKey: NJJVQFLVSLLHQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  78.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Hydroxy-3-methoxy-2-methylsulfanylbenzonitrile 、 三氟乙酸 在 乌洛托品 作用下， 反应 12.0h， 以72.9%的产率得到5-formyl-4-hydroxy-3-methoxy-2-(methylthio)benzonitrile
  参考文献：
  名称：

  Synthesis of 6-substituted 5-cyano-7-hydroxy-2-carboxybenzofurans

  摘要：

  Methods for the synthesis of 5-cyano-7-hydroxy-2-carboxybenzofurans bearing a variety of substituents at the 6-position are outlined. The scope and limitations of lithiation processes, electrophilic substitutions, and pericyclic reactions are investigated. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.020
• 作为产物：
  描述：

  4-((tert-butyldimethylsilyl)oxy)-3-methoxy-2-(methylthio)benzonitrile 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以100%的产率得到4-Hydroxy-3-methoxy-2-methylsulfanylbenzonitrile
  参考文献：
  名称：

  Synthesis of 6-substituted 5-cyano-7-hydroxy-2-carboxybenzofurans

  摘要：

  Methods for the synthesis of 5-cyano-7-hydroxy-2-carboxybenzofurans bearing a variety of substituents at the 6-position are outlined. The scope and limitations of lithiation processes, electrophilic substitutions, and pericyclic reactions are investigated. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.020

文献信息

• Synthesis of 6-substituted 5-cyano-7-hydroxy-2-carboxybenzofurans
  作者：Simon J. Teague、Simon Barber

  DOI：10.1016/j.tetlet.2010.07.020

  日期：2010.9

  Methods for the synthesis of 5-cyano-7-hydroxy-2-carboxybenzofurans bearing a variety of substituents at the 6-position are outlined. The scope and limitations of lithiation processes, electrophilic substitutions, and pericyclic reactions are investigated. (C) 2010 Elsevier Ltd. All rights reserved.