[4-(4-chlorophenyl)-5-phenyl-thiazol-2-yl]-((3-phenyl-isoxazol-5-yl)methyl)amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [4-(4-chlorophenyl)-5-phenyl-thiazol-2-yl]-((3-phenyl-isoxazol-5-yl)methyl)amine
• 英文别名: 4-(4-chlorophenyl)-5-phenyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3-thiazol-2-amine
• 化学式: C₂₅H₁₈ClN₃OS
• 分子量: 443.956
• InChiKey: ADRGTXXMBJJDTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  79.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氯苯基苄基酮 在 copper(ll) sulfate pentahydrate 、 溴 、 potassium carbonate 、 sodium ascorbate 作用下， 以 乙醇 、 氯仿 、 水 、 溶剂黄146 、 甲苯 、 叔丁醇 为溶剂， 反应 57.25h， 生成 [4-(4-chlorophenyl)-5-phenyl-thiazol-2-yl]-((3-phenyl-isoxazol-5-yl)methyl)amine
  参考文献：
  名称：

  Synthesis, Characterization, andIn VitroAntimicrobial Activity of Methyleneamine-Linked Bis-heterocycles

  摘要：

  A new class of methyleneamine-linked bis-heterocycles that exhibit antimicrobial activity was synthesized. Bromination of 1 followed by condensation with thiourea gave 3. The reaction of 3 with propargyl bromide in dry toluene under inert atmosphere led to the formation of . Its subsequent reaction with different nitrile oxides using CuSO4.5H2O-sodiumascorbate system in a 2:1 mixture of water and tert-butyl alcohol yielded the title compounds in good yields. The identities of these compounds were confirmed following elemental analysis, IR, 1H, 13C NMR, and mass spectral studies. All the title compounds exhibited pronounced in vitro antibacterial and antifungal activities.

  DOI：

  10.1002/jhet.1674

文献信息

• Synthesis, Characterization, and<i>In Vitro</i>Antimicrobial Activity of Methyleneamine-Linked Bis-heterocycles
  作者：A. Babulreddy、R. V. Hymavathi、Md. Manzoor Hussain、G. Narayana Swamy

  DOI：10.1002/jhet.1674

  日期：2013.5

  A new class of methyleneamine-linked bis-heterocycles that exhibit antimicrobial activity was synthesized. Bromination of 1 followed by condensation with thiourea gave 3. The reaction of 3 with propargyl bromide in dry toluene under inert atmosphere led to the formation of . Its subsequent reaction with different nitrile oxides using CuSO4.5H2O-sodiumascorbate system in a 2:1 mixture of water and tert-butyl alcohol yielded the title compounds in good yields. The identities of these compounds were confirmed following elemental analysis, IR, 1H, 13C NMR, and mass spectral studies. All the title compounds exhibited pronounced in vitro antibacterial and antifungal activities.