(E)-4-styrylnonan-5-one | 1393444-55-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-4-styrylnonan-5-one
• 英文别名: 4-[(E)-2-phenylethenyl]nonan-5-one
• CAS: 1393444-55-7
• 化学式: C₁₇H₂₄O
• 分子量: 244.377
• InChiKey: WAYPEKWUROOLJK-BUHFOSPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-4-styrylnonan-5-one 在 盐酸羟胺 、 水 、 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 1.5h， 生成
  参考文献：
  名称：

  A One-Pot Approach to Δ²-Isoxazolines from Ketones and Arylacetylenes

  摘要：

  The sequential reaction of ketones with arylacetylenes and hydroxylamine in the presence of KOBut/DMSO followed by the treatment of the reaction mixture with H2O and KOH leads to Delta(2)-isoxazolines in up to 88% yield.

  DOI：

  10.1021/ol303132u
• 作为产物：
  描述：

  5-壬酮 、 苯乙炔 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 0.5h， 生成 (E)-4-styrylnonan-5-one
  参考文献：
  名称：

  A One-Pot Approach to Δ²-Isoxazolines from Ketones and Arylacetylenes

  摘要：

  The sequential reaction of ketones with arylacetylenes and hydroxylamine in the presence of KOBut/DMSO followed by the treatment of the reaction mixture with H2O and KOH leads to Delta(2)-isoxazolines in up to 88% yield.

  DOI：

  10.1021/ol303132u

文献信息

• Transition-Metal-Free Superbase-Promoted Stereoselective α-Vinylation of Ketones with Arylacetylenes: A General Strategy for Synthesis of β,γ-Unsaturated Ketones
  作者：Boris A. Trofimov、Elena Yu. Schmidt、Nadezhda V. Zorina、Elena V. Ivanova、Igor' A. Ushakov

  DOI：10.1021/jo301005p

  日期：2012.8.17

  A wide variety of beta,gamma-unsaturated ketones of E configuration have been obtained in good to excellent yields via (KOBu)-Bu-t/DMSO promoted alpha-vinylation of aliphatic, cycloaliphatic, and alkyl aromatic (heteroaromatic) ketones with diverse arylacetylenes.
• A One-Pot Approach to Δ²-Isoxazolines from Ketones and Arylacetylenes
  作者：Elena Yu. Schmidt、Inna V. Tatarinova、Elena V. Ivanova、Nadezhda V. Zorina、Igor’ A. Ushakov、Boris A. Trofimov

  DOI：10.1021/ol303132u

  日期：2013.1.4

  The sequential reaction of ketones with arylacetylenes and hydroxylamine in the presence of KOBut/DMSO followed by the treatment of the reaction mixture with H2O and KOH leads to Delta(2)-isoxazolines in up to 88% yield.