2-(3-Carbomethoxypropyl)-5-phenyloxazole | 133602-37-6

• 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-(3-Carbomethoxypropyl)-5-phenyloxazole
• 英文别名: Methyl 4-(5-phenyl-1,3-oxazol-2-yl)butanoate
• CAS: 133602-37-6
• 化学式: C₁₄H₁₅NO₃
• 分子量: 245.278
• InChiKey: ZYBSQRVFJCZLJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氯甲酰基丁酸甲酯 在 phosphorus pentoxide 作用下， 以 吡啶 、 氯仿 为溶剂， 反应 48.0h， 生成 2-(3-Carbomethoxypropyl)-5-phenyloxazole
  参考文献：
  名称：

  Cycloadditions. 48. Novel heterocycles by bis heteroannulation of oxazoles

  摘要：

  We report the first examples of intramolecular Diels-Alder addition of heterodienophiles N = N, C =N, C = O, C = S to oxazoles. The required 5-ethoxy- and 5-phenyloxazoles were synthesized bearing a side chain of variable length on C-2 to which the different heterodienophiles are attached. The products of the thermal bis heteroannulation are 3-triazolines, imidazolines, oxazolines, or thiazolines fused to a five- to six-membered ring. Relative reactivities were established and the mechanism is discussed.

  DOI：

  10.1021/jo00010a044

文献信息

• NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS
  申请人：Benarous Richard

  公开号：US20120022054A1

  公开（公告）日：2012-01-26

  The present invention concerns novel substituted aryl derivatives, their process of preparation and their use for inhibiting virus replication and for treating viral diseases or disorders such as HIV and/or HCV infection.

  本发明涉及新型取代芳基衍生物、其制备过程及其用于抑制病毒复制和治疗病毒性疾病或障碍，如HIV和/或HCV感染的用途。
• Cycloadditions. 48. Novel heterocycles by bis heteroannulation of oxazoles
  作者：A. Hassner、B. Fischer

  DOI：10.1021/jo00010a044

  日期：1991.5

  We report the first examples of intramolecular Diels-Alder addition of heterodienophiles N = N, C =N, C = O, C = S to oxazoles. The required 5-ethoxy- and 5-phenyloxazoles were synthesized bearing a side chain of variable length on C-2 to which the different heterodienophiles are attached. The products of the thermal bis heteroannulation are 3-triazolines, imidazolines, oxazolines, or thiazolines fused to a five- to six-membered ring. Relative reactivities were established and the mechanism is discussed.