1-(2-溴-1,1-二甲氧基乙基)-4-硝基苯 | 828935-07-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2-溴-1,1-二甲氧基乙基)-4-硝基苯
• 英文名称: 1-(2-bromo-1,1-dimethoxyethyl)-4-nitrobenzene
• 英文别名: 1-(2-Bromo-1,1-dimethoxyethyl)-4-nitrobenzene
• CAS: 828935-07-5
• 化学式: C₁₀H₁₂BrNO₄
• 分子量: 290.114
• InChiKey: GREJCBRUFCLPNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲醇 、 对硝基苯甲醛 在 哌啶 、 1,3-二溴-5,5-二甲基海因 作用下， 反应 12.0h， 以93%的产率得到1-(2-溴-1,1-二甲氧基乙基)-4-硝基苯
  参考文献：
  名称：

  One-Step Conversion of Acetophenones to α-Haloacetophenone Dimethyl Acetals Using DCDMH/DBDMH and Molecular Sieve in Methanol

  摘要：

  Using DCDMH/DBDMH as N-halo reagent, piperidine as catalyst, and 4-A molecular sieve as water-removing agent, alpha-haloacetophenone dimethyl acetals were directly obtained from the solvent of methanol. As to the substrates with electron-withdrawing groups, the conversions were 80-100%.

  DOI：

  10.1080/00397911.2010.540696

文献信息

• Oxidative bromination of ketones using ammonium bromide and oxone®
  作者：Arun Kumar Macharla、Rohitha Chozhiyath Nappunni、Mahender Reddy Marri、Swamy Peraka、Narender Nama

  DOI：10.1016/j.tetlet.2011.11.011

  日期：2012.1

  esters and α,α-dibromination of 1,3-diketones and β-keto esters without catalyst is reported using ammonium bromide as a bromine source and oxone® as an oxidant. The reaction proceeds at ambient temperature and yields range from moderate to excellent. Bromination of unsymmetrical ketones takes place at the less substituted α-position predominantly. Aromatisation of tetralones is also carried out with this

  一种高效，环保，经济的方法，无需催化剂即可选择性地将芳烷基，环状，无环，1,3-二酮和β-酮​​酯进行α-单溴化，以及将1,3-二酮和β-酮​​酯进行α，α-二溴化使用溴化铵作为溴源和过硫酸氢钾报道®作为氧化剂。反应在环境温度下进行，收率范围从中等到极好。不对称酮的溴化主要发生在取代度较低的α位上。四氢萘酮的芳构化也用该试剂系统进行。
• One-Step Conversion of Acetophenones to <font>α</font>-Haloacetophenone Dimethyl Acetals Using DCDMH/DBDMH and Molecular Sieve in Methanol
  作者：Bin Zhou、Zizhan Chen、Zubiao Zheng、Bingbing Han、Xinzhuo Zou

  DOI：10.1080/00397911.2010.540696

  日期：2012.5.15

  Using DCDMH/DBDMH as N-halo reagent, piperidine as catalyst, and 4-A molecular sieve as water-removing agent, alpha-haloacetophenone dimethyl acetals were directly obtained from the solvent of methanol. As to the substrates with electron-withdrawing groups, the conversions were 80-100%.