4-(Methylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-2-oxo-2H-pyran-3-carbonitrile | 743431-91-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(Methylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-2-oxo-2H-pyran-3-carbonitrile
• 英文别名: 4-methylsulfanyl-6-(4-methylsulfanylphenyl)-2-oxopyran-3-carbonitrile
• CAS: 743431-91-6
• 化学式: C₁₄H₁₁NO₂S₂
• 分子量: 289.379
• InChiKey: KSPCEMGDXCSYOV-UHFFFAOYSA-N

物化性质

• 沸点：
  420.7±45.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(Methylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-2-oxo-2H-pyran-3-carbonitrile 在 氢氧化钾 、 Amberlyst 15 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 5-Formyl-3,4'-bis-methylsulfanyl-biphenyl-4-carbonitrile
  参考文献：
  名称：

  An innovative approach to the synthesis of substituted benzaldehydes through carbanion induced ring transformation of suitably functionalized 2 H -pyran-2-ones

  摘要：

  An innovative route for the synthesis of substituted benzaldehydes has been delineated through a ring transformation reaction of suitably functionalized 2H-pyran-2-ones by methylglyoxaldimethylacetal followed by Amberlyst 15 or acid catalyzed cleavage of the intermediate acetal in good yield. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2004.05.095

文献信息

• Synthesis of Benzocyclobutanes through Ring Transformation Reactions of 2<i>H</i>-pyran-2-ones
  作者：Vishnu Ji Ram、Diptesh Sil、Ashoke Sharon、Ramendra Pratap、Prakas R. Maulik

  DOI：10.1055/s-2004-831292

  日期：——

  A one-pot synthesis of benzocyclobutane (3a-n) has been developed through base-induced ring transformation reactions of 6-aryl-4-substituted-2H-pyran-2-one-3-carbonitriles (1a-c) and methyl 6-aryl-4-methylsulfanyl-2H-pyran-2-one-3-carboxylate (1d) by cyclobutanone.

  通过碱诱导的 6-芳基-4-取代-2H-吡喃-2-one-3-腈 (1a-c) 和甲基 6 的环转化反应开发了苯并环丁烷 (3a-n) 的一锅法合成-aryl-4-methylsulfanyl-2H-pyran-2-one-3-carboxylate (1d) 由环丁酮。
• An efficient synthesis of 4H,5H-pyrano[3,4-c]pyran-4,5-diones from a suitably functionalized 2H-pyran-2-one
  作者：Diptesh Sil、Vishnu Ji Ram

  DOI：10.1016/j.tetlet.2004.09.045

  日期：2004.10

  An efficient synthesis of ethyl 7-aryl-2-methyl-4H,5H-pyrano[3,4-c]pyran-4,5-dione-1-carboxylate 5, and ethyl 6-aryl-3-cyano-2H-pyran-2-one-4-acetate 6 has been delineated by reaction of suitably functionalized 2H-pyran-2-ones 1 with ethyl acetoacetate 2. (C) 2004 Elsevier Ltd. All rights reserved.