N-(3-Carbethoxypropanoyl)-ω-aminoacetophenone | 133602-34-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(3-Carbethoxypropanoyl)-ω-aminoacetophenone
• 英文别名: ethyl 4-oxo-4-(phenacylamino)butanoate
• CAS: 133602-34-3
• 化学式: C₁₄H₁₇NO₄
• 分子量: 263.293
• InChiKey: UHJULNRYGQEILK-UHFFFAOYSA-N

物化性质

• 沸点：
  479.0±30.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.33
• 重原子数：
  19.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.47
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-(3-Carbethoxypropanoyl)-ω-aminoacetophenone 在 碘代三甲硅烷 、 碘苯二乙酸 、 phosphorus pentoxide 、 N,N'-二环己基碳二亚胺 作用下， 以 氯仿 、 乙腈 、 苯 为溶剂， 反应 28.0h， 生成 2,3,5,6-Tetrahydro-5-oxo-2-benzoyl-3-carbethoxy-1,2,4-triazolo<2,3-a>pyrrole
  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
• 作为产物：
  描述：

  丁二酸单乙酯酰氯 、 2-氨基苯乙酮盐酸盐 以 吡啶 为溶剂， 反应 96.0h， 以92%的产率得到N-(3-Carbethoxypropanoyl)-ω-aminoacetophenone
  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

• Beta lactam compounds and their use as inhibitors of tryptase
  申请人：Bristol-Myers Squibb Co.

  公开号：US06335324B1

  公开（公告）日：2002-01-01

  Compounds of the formulas: are disclosed. These compounds inhibit tryptase as well as other enzyme systems or are selective tryptase inhibitors and are useful as antiinflammatory agents particularly in the treatment of chronic asthma.

  这些化合物的结构式已被披露。这些化合物抑制色胺酸蛋白酶以及其他酶系统，或者是选择性色胺酸蛋白酶抑制剂，并且在特别是治疗慢性哮喘方面作为抗炎药物是有用的。