3-Bromo-5-methyl-2-(methylthio)-thiophene | 61074-67-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-Bromo-5-methyl-2-(methylthio)-thiophene
• 英文别名: 3-Brom-5-methyl-2-(methylthio)thiophen；3-bromo-5-methyl-2-methylsulfanyl-thiophene；3-bromo-5-methyl-2-methylsulfanylthiophene
• CAS: 61074-67-7
• 化学式: C₆H₇BrS₂
• 分子量: 223.158
• InChiKey: ORCYCQMACKGZCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  溴乙烷 、 3-Bromo-5-methyl-2-(methylthio)-thiophene 生成 (Z)-4-ethylsulfanyl-pent-3-en-1-yne
  参考文献：
  名称：

  Gronowitz,S.; Frejd,T., Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1976, vol. 30, p. 439 - 449

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴-5-甲基噻吩 、 二甲基二硫 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 以82%的产率得到3-Bromo-5-methyl-2-(methylthio)-thiophene
  参考文献：
  名称：

  Synthesis of trisubstituted thiophenesvia a halogen dance reaction at 2-bromo-5-methylthiophene

  摘要：

  A new example of a selective halogen dance reaction was observed upon lithiation of 2-bromo-5-methylthiophene with LDA under appropriate reaction conditions. A series of 2-substituted 3-bromo-5-methylthiophenes was prepared by reacting the thus selectively generated intermediate 3-bromo-2-lithio-5-methylthiophene with various electrophiles to study scope and limitations of the reaction.

  DOI：

  10.1007/bf00813799

文献信息

• Synthesis of trisubstituted thiophenesvia a halogen dance reaction at 2-bromo-5-methylthiophene
  作者：J. Fr�hlich、C. Hametner、W. Kalt

  DOI：10.1007/bf00813799

  日期：1996.3

  A new example of a selective halogen dance reaction was observed upon lithiation of 2-bromo-5-methylthiophene with LDA under appropriate reaction conditions. A series of 2-substituted 3-bromo-5-methylthiophenes was prepared by reacting the thus selectively generated intermediate 3-bromo-2-lithio-5-methylthiophene with various electrophiles to study scope and limitations of the reaction.
• Gronowitz,S.; Frejd,T., Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1976, vol. 30, p. 439 - 449
  作者：Gronowitz,S.、Frejd,T.

  DOI：——

  日期：——

表征谱图