[4-(4-chlorophenyl)-5-phenyl-thiazol-2-yl]-[(3-(4-methoxyphenyl)-isoxazol-5yl)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-(4-methoxyphenyl)-isoxazol-5yl)methyl]amine
• 英文别名: 4-(4-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
• 化学式: C₂₆H₂₀ClN₃O₂S
• 分子量: 473.983
• InChiKey: XSJUEQRAILKCSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  88.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [4-(4-chlorophenyl)-5-phenyl-thiazol-2-yl]-[(3-(4-methoxyphenyl)-isoxazol-5yl)methyl]amine 在 甲醇 、 sodium hydroxide 作用下， 反应 0.08h， 生成 2-(4-bromophenyl)-5-methyl-1-phenethyl-1H-benzimidazole
  参考文献：
  名称：

  利用a连接基的微波辅助固相合成1,2-双取代苯并咪唑文库

  摘要：

  已经开发了一种高效，快速的微波辅助固相合成方法，用于合成5-甲基-1，2-二取代的苯并咪唑衍生物。通过聚合物负载的三苯基膦与4-氟-3-硝基苄基碘的反应获得的phospho连接基，用伯胺进行芳族取代，然后在SnCl 2 ·2H 2 O的存在下与醛进行单锅反应，生成了微波辐射下苯并咪唑体系。在微波辐射下用NaOH从树脂中释放出最终产物，并以高纯度和良好的总收率获得。

  DOI：

  10.1002/jhet.1619
• 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 65.25h， 生成 [4-(4-chlorophenyl)-5-phenyl-thiazol-2-yl]-[(3-(4-methoxyphenyl)-isoxazol-5yl)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.
• Microwave-Assisted Solid-Phase Synthesis of a 1,2-Disubstituted Benzimidazole Library by Using a Phosphonium Linker
  作者：Natalia Ríos、Cecilia Chavarría、Carmen Gil、Williams Porcal

  DOI：10.1002/jhet.1619

  日期：2013.5

  microwave‐assisted solid‐phase method for the synthesis of 5‐methyl‐1,2‐disubstituted benzimidazoles derivatives has been developed. The phosphonium linker, obtained by reaction between polymer‐supported triphenylphosphine and 4‐fluoro‐3‐nitrobenzyl iodide, underwent aromatic substitution with primary amines, followed by one‐pot reaction with aldehydes in the presence of SnCl2·2H2O, yielded the benzimidazole system

  已经开发了一种高效，快速的微波辅助固相合成方法，用于合成5-甲基-1，2-二取代的苯并咪唑衍生物。通过聚合物负载的三苯基膦与4-氟-3-硝基苄基碘的反应获得的phospho连接基，用伯胺进行芳族取代，然后在SnCl 2 ·2H 2 O的存在下与醛进行单锅反应，生成了微波辐射下苯并咪唑体系。在微波辐射下用NaOH从树脂中释放出最终产物，并以高纯度和良好的总收率获得。