N-allyl-4-(4-fluorophenyl)thiazol-2-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: N-allyl-4-(4-fluorophenyl)thiazol-2-amine
• 英文别名: allyl-[4-(4-fluoro-phenyl)-thiazol-2-yl]-amine；4-(4-fluorophenyl)-N-(prop-2-en-1-yl)-1,3-thiazol-2-amine；4-(4-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
• 化学式: C₁₂H₁₁FN₂S
• mdl: MFCD00128392
• 分子量: 234.297
• InChiKey: SRFYFOHTMCHTRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氟苯乙酮 在 potassium carbonate 、 copper(I) bromide 作用下， 以 乙酸乙酯 为溶剂， 反应 5.0h， 生成 N-allyl-4-(4-fluorophenyl)thiazol-2-amine
  参考文献：
  名称：

  Facile One-Pot Procedure for the Synthesis of 2-Aminothiazole Derivatives

  摘要：

  A facile, efficient synthesis of 2-aminothiazole derivatives by the reaction of easily available aromatic methyl ketones with thiourea/N-substituted thioureas in the presence of copper(II) bromide was developed. The reaction underwent a one-pot alpha-bromination/cyclization process.

  DOI：

  10.3987/com-12-12510

文献信息

• Small Molecule Library Synthesis Using Segmented Flow
  作者：Christina M. Thompson、Jennifer L. Poole、Jeffrey L. Cross、Irini Akritopoulou-Zanze、Stevan W. Djuric

  DOI：10.3390/molecules16119161

  日期：——

  Flow chemistry has gained considerable recognition as a simple, efficient, and safe technology for the synthesis of many types of organic and inorganic molecules ranging in scope from large complex natural products to silicon nanoparticles. In this paper we describe a method that adapts flow chemistry to the synthesis of libraries of compounds using a fluorous immiscible solvent as a spacer between reactions. The methodology was validated in the synthesis of two small heterocycle containing libraries. The reactions were performed on a 0.2 mmol scale, enabling tens of milligrams of material to be generated in a single 200 mL reaction plug. The methodology allowed library synthesis in half the time of conventional microwave synthesis while maintaining similar yields. The ability to perform multiple, potentially unrelated reactions in a single run is ideal for making small quantities of many different compounds quickly and efficiently.

  流动化学作为一种简便、高效且安全的合成技术，已获得广泛认可，适用于多种有机和无机分子的制备，其规模从复杂的大型天然产物到硅纳米颗粒不等。本文介绍了一种利用流动化学合成化合物库的方法，该方法采用氟烃不溶性溶剂作为反应间的间隔物。我们在合成两个含小杂环的化合物库中验证了该方法。反应规模为0.2毫摩尔，单次200毫升反应插件即可生成数十毫克的物质。与传统微波合成相比，该方法在保持相似产率的同时，将化合物库合成时间缩短了一半。能够在单次运行中进行多个潜在不相关的反应，这为快速高效地制备少量多种不同化合物提供了理想条件。