4-Azido-1-(3,4-dimethylphenyl)-1-butanone | 856681-11-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Azido-1-(3,4-dimethylphenyl)-1-butanone
• 英文别名: 4-azido-1-(3,4-dimethylphenyl)butan-1-one
• CAS: 856681-11-3
• 化学式: C₁₂H₁₅N₃O
• 分子量: 217.271
• InChiKey: QTTHVHCSVKUAGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Azido-1-(3,4-dimethylphenyl)-1-butanone 在 亚磷酸三乙酯 作用下， 以 二甲基亚砜 为溶剂， 反应 0.2h， 以93%的产率得到5-(3,4-dimethylphenyl)-3,4-dihydro-2H-pyrrole
  参考文献：
  名称：

  An efficient one-pot synthesis of pyrrolines and tetrahydropyridines from their chloro-precursors via in situ aza-Wittig reaction

  摘要：

  A simple and efficient method for synthesizing pyrrolines and tetrahydropyridines via an intramolecular aza-Wittig reaction has been achieved by microwave irradiation of the corresponding chloro-alkane derivatives in the presence of tertiary phosphite and sodium azide. The in situ formation of the alkyl azides makes this a facile and safe method for aza-Wittig reactions. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.04.054
• 作为产物：
  描述：

  4-氯-1-(3,4-二甲基苯基)-1-丁酮 在 sodium azide 作用下， 以 二甲基亚砜 为溶剂， 生成 4-Azido-1-(3,4-dimethylphenyl)-1-butanone
  参考文献：
  名称：

  An efficient one-pot synthesis of pyrrolines and tetrahydropyridines from their chloro-precursors via in situ aza-Wittig reaction

  摘要：

  A simple and efficient method for synthesizing pyrrolines and tetrahydropyridines via an intramolecular aza-Wittig reaction has been achieved by microwave irradiation of the corresponding chloro-alkane derivatives in the presence of tertiary phosphite and sodium azide. The in situ formation of the alkyl azides makes this a facile and safe method for aza-Wittig reactions. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.04.054

文献信息

• An efficient one-pot synthesis of pyrrolines and tetrahydropyridines from their chloro-precursors via in situ aza-Wittig reaction
  作者：Pradeep N.D. Singh、Rodney F. Klima、Sivaramakrishnan Muthukrishnan、Rajesh S. Murthy、Jagadis Sankaranarayanan、Heidi M. Stahlecker、Bhavika Patel、Anna D. Gudmundsdóttir

  DOI：10.1016/j.tetlet.2005.04.054

  日期：2005.6

  A simple and efficient method for synthesizing pyrrolines and tetrahydropyridines via an intramolecular aza-Wittig reaction has been achieved by microwave irradiation of the corresponding chloro-alkane derivatives in the presence of tertiary phosphite and sodium azide. The in situ formation of the alkyl azides makes this a facile and safe method for aza-Wittig reactions. (c) 2005 Elsevier Ltd. All rights reserved.