2-methyl-1-(4-nitrobenzenesulfonyl)-4-phenyl-4,5-dihydro-1H-imidazole | 1290041-89-2

• 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-methyl-1-(4-nitrobenzenesulfonyl)-4-phenyl-4,5-dihydro-1H-imidazole
• 英文别名: 2-methyl-1-((4-nitrophenyl)sulfonyl)-4-phenyl-4,5-dihydro-1H-imidazole；4,5-Dihydro-2-methyl-1-[(4-nitrophenyl)sulfonyl]-4-phenyl-1H-imidazole；2-methyl-1-(4-nitrophenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole
• CAS: 1290041-89-2
• 化学式: C₁₆H₁₅N₃O₄S
• 分子量: 345.379
• InChiKey: VMHCZHSWUHGQAM-UHFFFAOYSA-N

物化性质

• 沸点：
  533.7±60.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对硝基苯磺酰氯 在 4-二甲氨基吡啶 、 三氟化硼乙醚 、 三乙胺 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 0.75h， 生成 2-methyl-1-(4-nitrobenzenesulfonyl)-4-phenyl-4,5-dihydro-1H-imidazole
  参考文献：
  名称：

  Generation and Ring Opening of Aziridines in Telescoped Continuous Flow Processes

  摘要：

  A simple method for the preparation of a variety of N-sulfonyl aziridines (10 examples) from 1,2-amino alcohols under continuous flow conditions is described. Using flow based methods, the aziridines can be further ring opened with oxygen, carbon, and halide nucleophiles or ring expanded to imidazolines by Lewis acid promoted reaction with nitriles. Telescoping the aziridine generation and ring opening steps together in a microfluidic reactor allows the chemistry to be undertaken with limited exposure to the potentially hazardous aziridine intermediates.

  DOI：

  10.1021/acs.orglett.5b01777

文献信息

• <i>N</i>-Bromosuccinimide Initiated One-Pot Synthesis of Imidazoline
  作者：Ling Zhou、Jing Zhou、Chong Kiat Tan、Jie Chen、Ying-Yeung Yeung

  DOI：10.1021/ol2006902

  日期：2011.5.6

  A novel cationic Br initiated one-pot imidazoline synthesis has been developed using olefin, nitrile, amine, and N-bromosuccinimide. The olefinic substrates and the nitrile partners can be flexibly varied to achieve a range of imidazoline derivatives.