5-phenyl-2-thiophen-2-ylethynyloxazole | 1241038-96-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-phenyl-2-thiophen-2-ylethynyloxazole
• 英文别名: 5-Phenyl-2-(2-thiophen-2-ylethynyl)-1,3-oxazole；5-phenyl-2-(2-thiophen-2-ylethynyl)-1,3-oxazole
• CAS: 1241038-96-9
• 化学式: C₁₅H₉NOS
• 分子量: 251.309
• InChiKey: VLCRHUGZZNDPMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯甲醛 在 copper(I) bromide dimethylsulfide complex 、 potassium carbonate 、 双(2-二苯基磷苯基)醚 、 lithium tert-butoxide 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 1.0h， 生成 5-phenyl-2-thiophen-2-ylethynyloxazole
  参考文献：
  名称：

  Synthesis and evaluation of photophysical properties of Series of π-conjugated oxazole dyes

  摘要：

  Incorporation of pi-conjugated spacers at the 2 or 5 position of a 2,5-disubstitutedaryloxazole led to new series of fluorescent dyes. They show emissions from visible to 700 nm along with significant Stokes shift up to 208 nm and a strong solvatochromic fluorescence. These compounds are easily accessible in one step through direct C-H bond functionalization. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.04.037

文献信息

• 1,1-Dibromo-1-alkenes as Valuable Partners in the Copper-Catalyzed Direct Alkynylation of Azoles
  作者：Beatriz Pacheco Berciano、Sabrina Lebrequier、François Besselièvre、Sandrine Piguel

  DOI：10.1021/ol1016433

  日期：2010.9.17

  The copper-catalyzed direct alkynylation of azoles with 1,1-dibromo-1-alkenes as electrophiles is described. These easily accessible substrates are a useful addition to the field of direct alkynylations in an efficient and functional group tolerant reaction to provide a straightforward entry to diverse alkynyl heterocycles.

  描述了铜催化的唑类与1,1-二溴-1-烯烃作为亲电子试剂的直接烷基化反应。这些易于接近的底物是对在有效和官能团耐受的反应中直接炔基化领域有用的添加物，以提供直接进入各种炔基杂环的途径。
• Synthesis and evaluation of photophysical properties of Series of π-conjugated oxazole dyes
  作者：Florence Mahuteau-Betzer、Sandrine Piguel

  DOI：10.1016/j.tetlet.2013.04.037

  日期：2013.6

  Incorporation of pi-conjugated spacers at the 2 or 5 position of a 2,5-disubstitutedaryloxazole led to new series of fluorescent dyes. They show emissions from visible to 700 nm along with significant Stokes shift up to 208 nm and a strong solvatochromic fluorescence. These compounds are easily accessible in one step through direct C-H bond functionalization. (C) 2013 Elsevier Ltd. All rights reserved.