1-bromo-4-[(4'-methylphenyl)sulfonyl]-2-butanone | 205816-67-7

• 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: 1-bromo-4-[(4'-methylphenyl)sulfonyl]-2-butanone
• 英文别名: Yyckjzyshswxhk-uhfffaoysa-；1-bromo-4-(4-methylphenyl)sulfonylbutan-2-one
• CAS: 205816-67-7
• 化学式: C₁₁H₁₃BrO₃S
• 分子量: 305.192
• InChiKey: YYCKJZYSHSWXHK-UHFFFAOYSA-N

物化性质

• 沸点：
  461.8±45.0 °C(Predicted)
• 密度：
  1.472±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-bromo-4-[(4'-methylphenyl)sulfonyl]-2-butanone 在 sodium hydroxide 作用下， 以 甲醇 、 水 、 苯 为溶剂， 反应 6.0h， 生成 4-[(4-methylphenyl)sulfonyl]-1-(triphenylphosphoranylidene)-2-butanone
  参考文献：
  名称：

  4-[(4′-Methylphenyl)sulfonyl]-1-(triphenylphosphoranylidene)-2-butanone as a New Four-Carbon Synthon for Substituted Divinyl Ketones

  摘要：

  DOI：

  10.1002/1099-0690(200103)2001:5<975::aid-ejoc975>3.0.co;2-n
• 作为产物：
  描述：

  4-(甲苯-4-磺酰基)-2-丁酮 在 pyridinium hydrobromide perbromide 作用下， 以 溶剂黄146 为溶剂， 以60%的产率得到1-bromo-4-[(4'-methylphenyl)sulfonyl]-2-butanone
  参考文献：
  名称：

  4-[(4-Methylphenyl)sulfonyl]-1-(triphenylphosphoranylidene)-2-butanone and its dianion as versatile tools in organic synthesis

  摘要：

  The title compound and the corresponding dianion have been used as convenient precursors for substituted divinyl ketones in both carbo-and heterocyclization reactions in a one-pot three-step sequence leading to substituted carbo-and heterocyclic ring systems and for the construction of the 4-keto-2-alkenoate subunit, a common structural feature of a variety of natural compounds, respectively. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00108-7

文献信息

• 4-[(4′-Methylphenyl)sulfonyl]-1-(triphenylphosphoranylidene)-2-butanone as a New Four-Carbon Synthon for Substituted Divinyl Ketones
  作者：Achille Barco、Simonetta Benetti、Carmela De Risi、Paolo Marchetti、Gian Piero Pollini、Vinicio Zanirato

  DOI：10.1002/1099-0690(200103)2001:5<975::aid-ejoc975>3.0.co;2-n

  日期：2001.3
• 4-[(4-Methylphenyl)sulfonyl]-1-(triphenylphosphoranylidene)-2-butanone and its dianion as versatile tools in organic synthesis
  作者：Achille Barco、Simonetta Benetti、Carmela De Risi、Paolo Marchetti、Gian P. Pollini、Vinicio Zanirato

  DOI：10.1016/s0040-4039(98)00108-7

  日期：1998.4

  The title compound and the corresponding dianion have been used as convenient precursors for substituted divinyl ketones in both carbo-and heterocyclization reactions in a one-pot three-step sequence leading to substituted carbo-and heterocyclic ring systems and for the construction of the 4-keto-2-alkenoate subunit, a common structural feature of a variety of natural compounds, respectively. (C) 1998 Elsevier Science Ltd. All rights reserved.

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