[4-(4-Methylphenyl)-5-morpholin-4-ylthiophen-2-yl]-(4-nitrophenyl)methanone | 1058706-10-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [4-(4-Methylphenyl)-5-morpholin-4-ylthiophen-2-yl]-(4-nitrophenyl)methanone
• 英文别名: [4-(4-methylphenyl)-5-morpholin-4-ylthiophen-2-yl]-(4-nitrophenyl)methanone
• CAS: 1058706-10-7
• 化学式: C₂₂H₂₀N₂O₄S
• 分子量: 408.478
• InChiKey: ZWJAWMQNVJXIFL-UHFFFAOYSA-N

物化性质

• 熔点：
  200 °C(Solvent: Methanol)
• 沸点：
  628.4±55.0 °C(predicted)
• 密度：
  1.301±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-溴-4'-硝基苯乙酮 、 3-(Dimethylamino)-2-(4-methylphenyl)-1-morpholin-4-ylprop-2-ene-1-thione 以 neat (no solvent) 为溶剂， 生成 [4-(4-Methylphenyl)-5-morpholin-4-ylthiophen-2-yl]-(4-nitrophenyl)methanone
  参考文献：
  名称：

  A concise, greener, solvent-free novel one-pot synthesis of trisubstituted thiophenes

  摘要：

  Herein, we report a concise, greener, solvent-free, and novel one pot method for the synthesis of 2-morpholino-3-aryl-5-aroyl thiophenes using 1-morpholino-2-arylethanethione, N,N'-dimethyl formamide dimethyl acetal, and various phenacyl bromides. The driving force for this reaction is the removal of N,N'-dimethylamine from 3-(dimethylamino)-1-morpholino-2-arylprop-2-ene-1-thione resulting in various trisubstituted thiophenes (2-morpholino-3-aryl-5-aroyl thiophenes). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.10.022

文献信息

• A concise, greener, solvent-free novel one-pot synthesis of trisubstituted thiophenes
  作者：Hitesh B. Jalani、Amit N. Pandya、Dhaivat H. Pandya、Jayesh A. Sharma、V. Sudarsanam、Kamala K. Vasu

  DOI：10.1016/j.tetlet.2012.10.022

  日期：2012.12

  Herein, we report a concise, greener, solvent-free, and novel one pot method for the synthesis of 2-morpholino-3-aryl-5-aroyl thiophenes using 1-morpholino-2-arylethanethione, N,N'-dimethyl formamide dimethyl acetal, and various phenacyl bromides. The driving force for this reaction is the removal of N,N'-dimethylamine from 3-(dimethylamino)-1-morpholino-2-arylprop-2-ene-1-thione resulting in various trisubstituted thiophenes (2-morpholino-3-aryl-5-aroyl thiophenes). (C) 2012 Elsevier Ltd. All rights reserved.