| 1433664-34-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1433664-34-6
• 化学式: C₁₃H₁₁NOS₂
• 分子量: 261.368
• InChiKey: KACANMDCIUQQJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.95
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 以90%的产率得到2-ethenylsulfanyl-N-phenylthiophene-3-carboxamide
  参考文献：
  名称：

  An Atom-Economic Route to Thiophenes and 2,2′-Bithiophenes by Intramolecular Transannulation of gem-Dialkylthio Enynes

  摘要：

  An atom-economic route to thiophenes and bithiophenes has been developed starting from the readily available gem-dialkylthio enynes. A range of functionalized thiophenes and bithiophenes, bearing a pendent vinylthio group, were obtained in good to high yields under mild conditions.

  DOI：

  10.1021/ol4017854

文献信息

• CuI-Catalyzed, One-Pot, Three-Component Huisgen Cycloaddition Reaction of Conjugated Enynes and In Situ–Generated Azides
  作者：Yan-Feng Zhang、Xiao-Dan Han、Chuan-Qing Ren、Yu-Long Zhao

  DOI：10.1080/00397911.2012.688229

  日期：2013.8.3

  Abstract A novel and efficient copper(I)-catalyzed three-component Huisgen cycloaddition reaction of conjugated enynes, alkyl halides, and sodium azide has been developed. These reactions were performed in the absence of amide ligands at room temperature, and the corresponding mono- and bis-1,2,3-triazoles were obtained in good to excellent yields in a one-pot procedure. Supplemental materials are

  摘要 开发了一种新型高效的铜 (I) 催化的共轭烯炔、卤代烷和叠氮化钠的三组分 Huisgen 环加成反应。这些反应是在室温下不存在酰胺配体的情况下进行的，并且在一锅法中以良好至极好的产率获得了相应的单-和双-1,2,3-三唑。补充材料可用于本文。转至出版商的 Synthetic Communications® 在线版以查看免费的补充文件。图形概要