2-(3',4'-dimethoxyphenyl)-1-nitrobutane | 150367-11-6

• 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: 2-(3',4'-dimethoxyphenyl)-1-nitrobutane
• 英文别名: 1,2-Dimethoxy-4-(1-nitrobutan-2-yl)benzene
• CAS: 150367-11-6
• 化学式: C₁₂H₁₇NO₄
• 分子量: 239.271
• InChiKey: WUPBSNFFEAVHKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3',4'-dimethoxyphenyl)-1-nitrobutane 在 正丁基锂 、 双氧水 作用下， 以 四氢呋喃 为溶剂， 反应 3.92h， 生成 (Z)-1-nitro-2-(3',4'-dimethoxyphenyl)-1-butene
  参考文献：
  名称：

  A general method for the preparation of 2,2-disubstituted 1-nitroalkenes

  摘要：

  A general and expeditious routs for the preparation of functionalized 2,2-disubstituted 1-nitroalkenes has been developed. Conjugate 1,4-addition of complex zinc cuprates (RCu(CN)ZnI) to easily obtained (E)-1-nitroalkenes, followed by trapping with phenylselenenyl bromide and subsequent oxidative elimination, afforded the corresponding 2,2-disubstituted 1-nitroalkenes in good yields. 2-Alkyl-2-aryl- and 2,2-dialkyl nitroalkenes 4b-g were prepared in 76-88% yield and obtained as E/Z isomeric mixtures, slightly favoring the Z isomer (approximately 1.0:1.5, E/Z).

  DOI：

  10.1021/jo00067a016
• 作为产物：
  描述：

  3,4-dimethoxynitrostyrene 、 alkaline earth salt of/the/ methylsulfuric acid 以 四氢呋喃 为溶剂， 以84%的产率得到2-(3',4'-dimethoxyphenyl)-1-nitrobutane
  参考文献：
  名称：

  A general method for the preparation of 2,2-disubstituted 1-nitroalkenes

  摘要：

  A general and expeditious routs for the preparation of functionalized 2,2-disubstituted 1-nitroalkenes has been developed. Conjugate 1,4-addition of complex zinc cuprates (RCu(CN)ZnI) to easily obtained (E)-1-nitroalkenes, followed by trapping with phenylselenenyl bromide and subsequent oxidative elimination, afforded the corresponding 2,2-disubstituted 1-nitroalkenes in good yields. 2-Alkyl-2-aryl- and 2,2-dialkyl nitroalkenes 4b-g were prepared in 76-88% yield and obtained as E/Z isomeric mixtures, slightly favoring the Z isomer (approximately 1.0:1.5, E/Z).

  DOI：

  10.1021/jo00067a016