3-乙氧基-螺[3.6]-2-癸烯-1-酮 | 571151-61-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯酯类
• 中文名称: 3-乙氧基-螺[3.6]-2-癸烯-1-酮
• 英文名称: 3-ethoxyspiro[3.6]dec-2-en-1-one
• 英文别名: Spiro[3.6]dec-2-en-1-one, 3-ethoxy-；1-ethoxyspiro[3.6]dec-1-en-3-one
• CAS: 571151-61-6
• 化学式: C₁₂H₁₈O₂
• mdl: MFCD18642676
• 分子量: 194.274
• InChiKey: FZVJQMCKSUNZHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-乙氧基-螺[3.6]-2-癸烯-1-酮 在 盐酸 作用下， 以 水 为溶剂， 反应 24.0h， 以95%的产率得到spiro[3.6]decane-1,3-dione
  参考文献：
  名称：

  Efficient Synthesis of 3-Aminocyclobut-2-en-1-ones:  Squaramide Surrogates as Potent VLA-4 Antagonists

  摘要：

  [GRAPHICS]A novel series of uniquely functionalized 3-aminocyclobut-2-en-1-ones has been prepared by facile condensation of a variety of cyclobuta-1,3-diones with a phenylalanine-derived primary amine. These systems subsequently lend themselves to substitution at C-2 by reaction with a variety of electrophilic reagents including N-halosuccinimides, sulfenyl chlorides, and Eschenmoser's salt. Compounds from this novel series are potent antagonists of VLA-4.

  DOI：

  10.1021/ol034701n
• 作为产物：
  描述：

  环庚烷羰酰氯 、 乙氧基乙炔 在 三乙胺 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 48.0h， 以87%的产率得到3-乙氧基-螺[3.6]-2-癸烯-1-酮
  参考文献：
  名称：

  Efficient Synthesis of 3-Aminocyclobut-2-en-1-ones:  Squaramide Surrogates as Potent VLA-4 Antagonists

  摘要：

  [GRAPHICS]A novel series of uniquely functionalized 3-aminocyclobut-2-en-1-ones has been prepared by facile condensation of a variety of cyclobuta-1,3-diones with a phenylalanine-derived primary amine. These systems subsequently lend themselves to substitution at C-2 by reaction with a variety of electrophilic reagents including N-halosuccinimides, sulfenyl chlorides, and Eschenmoser's salt. Compounds from this novel series are potent antagonists of VLA-4.

  DOI：

  10.1021/ol034701n

文献信息

• Efficient Synthesis of 3-Aminocyclobut-2-en-1-ones:  Squaramide Surrogates as Potent VLA-4 Antagonists
  作者：Stephen Brand、Benjamin C. de Candole、Julien A. Brown

  DOI：10.1021/ol034701n

  日期：2003.6.1

  [GRAPHICS]A novel series of uniquely functionalized 3-aminocyclobut-2-en-1-ones has been prepared by facile condensation of a variety of cyclobuta-1,3-diones with a phenylalanine-derived primary amine. These systems subsequently lend themselves to substitution at C-2 by reaction with a variety of electrophilic reagents including N-halosuccinimides, sulfenyl chlorides, and Eschenmoser's salt. Compounds from this novel series are potent antagonists of VLA-4.