3-((2-bromophenyl)amino)((1-(tert-butyl)-1H-tetrazol-5-yl)methyl)-4H-chromen-4-one | 1564253-28-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-((2-bromophenyl)amino)((1-(tert-butyl)-1H-tetrazol-5-yl)methyl)-4H-chromen-4-one
• 英文别名: 3-[(2-Bromoanilino)-(1-tert-butyltetrazol-5-yl)methyl]chromen-4-one；3-[(2-bromoanilino)-(1-tert-butyltetrazol-5-yl)methyl]chromen-4-one
• CAS: 1564253-28-6
• 化学式: C₂₁H₂₀BrN₅O₂
• 分子量: 454.326
• InChiKey: OXUJBJPJXYCKOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  81.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  异氰酸叔丁酯 、 色酮-3-甲醛 、 2-溴苯胺 在 indium(III) chloride 、 叠氮基三甲基硅烷 作用下， 以 异丙醇 为溶剂， 反应 2.0h， 以72%的产率得到3-((2-bromophenyl)amino)((1-(tert-butyl)-1H-tetrazol-5-yl)methyl)-4H-chromen-4-one
  参考文献：
  名称：

  Synthesis of 3-tetrazolylmethyl-4H-chromen-4-ones via Ugi-azide and biological evaluation against Entamoeba histolytica, Giardia lamblia and Trichomona vaginalis

  摘要：

  The synthesis of novel 3-tetrazolylmethyl-4H-chromen-4-ones via an Ugi-azide multicomponent reaction and their biological evaluation against Entamoeba histolytica, Giardia lamblia and Trichomona vaginalis are described. Reported yields are moderate to good and biological results show that these compounds could be considered as candidates to anti-parasitic drugs, especially against G. lamblia. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.12.069

文献信息

• Synthesis of 3-tetrazolylmethyl-4H-chromen-4-ones via Ugi-azide and biological evaluation against Entamoeba histolytica, Giardia lamblia and Trichomona vaginalis
  作者：Pedro A. Cano、Alejandro Islas-Jácome、Joaquín González-Marrero、Lilian Yépez-Mulia、Fernando Calzada、Rocío Gámez-Montaño

  DOI：10.1016/j.bmc.2013.12.069

  日期：2014.2

  The synthesis of novel 3-tetrazolylmethyl-4H-chromen-4-ones via an Ugi-azide multicomponent reaction and their biological evaluation against Entamoeba histolytica, Giardia lamblia and Trichomona vaginalis are described. Reported yields are moderate to good and biological results show that these compounds could be considered as candidates to anti-parasitic drugs, especially against G. lamblia. (C) 2014 Elsevier Ltd. All rights reserved.