8-tert-butyl-4-hydroxy-3-mesityl-5,6,7,8-tetrahydro-2H-chromen-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 8-tert-butyl-4-hydroxy-3-mesityl-5,6,7,8-tetrahydro-2H-chromen-2-one
• 英文别名: 8-Tert-butyl-4-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydrochromen-2-one；8-tert-butyl-4-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydrochromen-2-one
• 化学式: C₂₂H₂₈O₃
• 分子量: 340.463
• InChiKey: LAPMBGXQHOEZGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-叔-丁基环己酮 、 (chlorocarbonyl)-2,4,6-trimethylphenyl ketene 以 xylene 为溶剂， 反应 8.0h， 以58%的产率得到6-tert-butyl-4-hydroxy-3-mesityl-1-oxaspiro[4,4]deca-3,6-dien-2-one
  参考文献：
  名称：

  2-(Chlorocarbonyl)-2-mesitylketene, a new building block for the synthesis of 4-hydroxy-3-mesityl tetronic acids

  摘要：

  Investigation of the reaction of (chlorocarbonyl)mesitylketene with ketones led to the discovery of a new synthetic pathway which yields 4-hydroxy-3-mesityl tetronic acids. Depending on the reaction conditions and the substitution pattern of the starting ketone, the expected products, i.e. 4-hydroxy-3-mesitylpyrones, can nevertheless be obtained. (C) 2001 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0040-4020(01)00293-9

文献信息

• 2-(Chlorocarbonyl)-2-mesitylketene, a new building block for the synthesis of 4-hydroxy-3-mesityl tetronic acids
  作者：Folker Lieb、J Benet-Buchholz、T Fäcke、R Fischer、A Graff、I.M Lefebvre、J Stetter

  DOI：10.1016/s0040-4020(01)00293-9

  日期：2001.5

  Investigation of the reaction of (chlorocarbonyl)mesitylketene with ketones led to the discovery of a new synthetic pathway which yields 4-hydroxy-3-mesityl tetronic acids. Depending on the reaction conditions and the substitution pattern of the starting ketone, the expected products, i.e. 4-hydroxy-3-mesitylpyrones, can nevertheless be obtained. (C) 2001 Elsevier Science Ltd. Ail rights reserved.