2-(3,3-dimethylbutanoyl)aniline | 1227618-00-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3,3-dimethylbutanoyl)aniline
• 英文别名: 1-(2-aminophenyl)-3,3-dimethyl-butan-1-one；1-(2-Aminophenyl)-3,3-dimethylbutan-1-one
• CAS: 1227618-00-9
• 化学式: C₁₂H₁₇NO
• 分子量: 191.273
• InChiKey: NEWIDSMNFKFVHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(3,3-dimethylbutanoyl)aniline 、 苯乙炔 在 苯磺酰基叠氮化物 、 copper(l) iodide 、 三乙胺 作用下， 以 乙腈 为溶剂， 以80 %的产率得到2‑benzyl‑3‑(tert‑butyl)quinazolin‑4(3H)‑one
  参考文献：
  名称：

  由 N-磺基烯酮亚胺和 2-氨基苯甲酰胺形成喹唑啉-4(3H)-酮

  摘要：

  摘要 Quinazolin-4(3 H )-one 结构由于能够融入多种天然产物和药物分子中，因此在合成化学中具有很高的价值。在这里，我们提出了一种利用反应性N -磺基烯酮亚胺构建 quinazolin-4(3 H )-one 的新方法，该反应是在 CuI 和 Et 3 N存在下由末端炔烃、磺酰叠氮化物和 2-氨基苯甲酰胺原位生成的。室温下在 MeCN 中顺利进行，以良好的效率提供目标化合物，并且适合克级合成。 图形概要

  DOI：

  10.1007/s13738-024-02971-6
• 作为产物：
  描述：

  1-(3,3-dimethylbut-1-yn-1-yl)-2-nitrobenzene 在 盐酸 、 tin 、 sodiumsulfide nonahydrate 、 水 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以93%的产率得到2-(3,3-dimethylbutanoyl)aniline
  参考文献：
  名称：

  A Highly Effective One-Pot Synthesis of Quinolines from 2-Alkynylnitrobenzenes

  摘要：

  A highly effective one-pot synthesis of poly-substituted quinolines from 2-alkynylnitrobenzenes using inexpensive reagents has been developed. Reaction of 2-alkynylnitrobenzenes with Sn/HCl in EtOH resulted in the formation of 2-aminophenyl ketones and subsequently condensed in situ with ketones to form tri-substituted quinolines in 80-97% yields.

  DOI：

  10.3987/com-09-11890

文献信息

• Antiinfective Lipopeptides
  申请人：Alexander Christopher Dylan

  公开号：US20080051326A1

  公开（公告）日：2008-02-28

  The present invention relates to novel depsipeptide compounds. The invention also relates to pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The invention also relates to methods of producing these novel depsipeptide compounds and intermediates used in producing these compounds.

  本发明涉及新型脱氨肽类化合物。该发明还涉及这些化合物的药物组合物以及将这些化合物用作抗菌化合物的方法。该发明还涉及生产这些新型脱氨肽类化合物以及用于生产这些化合物的中间体的方法。
• Novel Lipopeptides as Antibacterial Agents
  申请人：Hill Jason

  公开号：US20090011977A1

  公开（公告）日：2009-01-08

  The present invention relates to novel lipopeptide compounds. The invention also relates to pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The invention also relates to methods of producing these novel lipopeptide compounds and intermediates used in producing these compounds.

  本发明涉及新型脂肽化合物。本发明还涉及这些化合物的药物组合物以及将这些化合物用作抗菌化合物的方法。本发明还涉及生产这些新型脂肽化合物的方法以及用于生产这些化合物的中间体。
• Novel lipopeptides as antibacterial agents
  申请人：Hill Jason

  公开号：US20050203006A1

  公开（公告）日：2005-09-15

  The present invention relates to novel lipopeptide compounds. The invention also relates to pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The invention also relates to methods of producing these novel lipopeptide compounds and intermediates used in producing these compounds.

  本发明涉及新型脂肽化合物。本发明还涉及这些化合物的药物组合物以及将这些化合物用作抗菌化合物的方法。本发明还涉及生产这些新型脂肽化合物和用于生产这些化合物的中间体的方法。
• Novel depsipeptides and process for preparing same
  申请人：Finn John

  公开号：US20060194714A1

  公开（公告）日：2006-08-31

  The present invention relates to novel depsipeptide compounds. The invention also relates to pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The invention also relates to methods of producing these novel depsipeptide compounds and intermediates used in producing these compounds.
• Novel Depsipeptides and Process for Preparing Same
  申请人：Finn John

  公开号：US20080119395A1

  公开（公告）日：2008-05-22

  The present invention relates to novel depsipeptide compounds. The invention also relates to pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The invention also relates to methods of producing these novel depsipeptide compounds and intermediates used in producing these compounds.