2,5-Diphenyloxazole-4-carbonyl chloride | 197719-35-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,5-Diphenyloxazole-4-carbonyl chloride
• 英文别名: 2,5-diphenyl-1,3-oxazole-4-carbonyl chloride
• CAS: 197719-35-0
• 化学式: C₁₆H₁₀ClNO₂
• 分子量: 283.714
• InChiKey: VFXQEPAMVOIZPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.1
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  二乙胺 、 2,5-Diphenyloxazole-4-carbonyl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以81%的产率得到2,5-diphenyl-oxazole-4-carboxylic acid diethylamide
  参考文献：
  名称：

  Synthesis and scintillating efficiencies of 4-functionalised-2,5-diphenyloxazoles

  摘要：

  A series of 4-functionalised-2,5-diphenyloxazoles has been synthesised. Each member of the series has been assessed for the ability to scintillate in the presence of ionising radiation. The scintillation counting efficiency of each member of the series has been determined relative to 2,5-diphenyloxazole, a widely used scintillant molecule. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10435-x
• 作为产物：
  描述：

  ethyl 2,5-diphenyloxazole-4-carboxylate 在 sodium hydroxide 、 (COCl₂)2 、 N,N-二甲基甲酰胺 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 生成 2,5-Diphenyloxazole-4-carbonyl chloride
  参考文献：
  名称：

  Synthesis and scintillating efficiencies of 4-functionalised-2,5-diphenyloxazoles

  摘要：

  A series of 4-functionalised-2,5-diphenyloxazoles has been synthesised. Each member of the series has been assessed for the ability to scintillate in the presence of ionising radiation. The scintillation counting efficiency of each member of the series has been determined relative to 2,5-diphenyloxazole, a widely used scintillant molecule. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10435-x

文献信息

• Chemistry of 5-oxodihydroisoxazoles. Part 18.1 Synthesis of oxazoles by the photolysis and pyrolysis of 2-acyl-5-oxo-2,5-dihydroisoxazoles
  作者：Rolf H. Prager、Jason A. Smith、Ben Weber、Craig M. Williams

  DOI：10.1039/a700134g

  日期：——

  N-Acylisoxazol-5-ones lose carbon dioxide under photochemical and thermal conditions affording iminocarbenes which undergo intramolecular cyclisation through the oxygen of the acyl group to give oxazoles. Under photochemical conditions those acylisoxazolones with electron withdrawing groups at C-4 usually give high yields of oxazoles, while those with electron donating groups at C-4 give only poor yields: the reverse is observed under thermal conditions.

  N-酰基异恶唑-5-酮在光化学和热条件下失去二氧化碳，生成亚胺卡宾，随后通过酰基团的氧进行分子内环化，形成恶唑。在光化学条件下，C-4位带有吸电子基团的酰基异恶唑酮通常产生高产率的恶唑，而在C-4位带有供电子基团的酰基异恶唑酮仅产生低产率：在热条件下观察到相反的结果。