1-Hydroxy-4,4,5-trimethyl-6-methylene-2-oxa-bicyclo[3.3.1]nonan-3-one | 275826-00-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 1-Hydroxy-4,4,5-trimethyl-6-methylene-2-oxa-bicyclo[3.3.1]nonan-3-one
• 英文别名: 1-hydroxy-4,4,5-trimethyl-6-methylidene-2-oxabicyclo[3.3.1]nonan-3-one
• CAS: 275826-00-1
• 化学式: C₁₂H₁₈O₃
• 分子量: 210.273
• InChiKey: XNEQYGUHJSAKMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Hydroxy-4,4,5-trimethyl-6-methylene-2-oxa-bicyclo[3.3.1]nonan-3-one 在 草酰氯 作用下， 以 乙醚 、 苯 为溶剂， 反应 11.0h， 生成 3-(3-Diazo-1,1-dimethyl-2-oxo-propyl)-3-methyl-4-methylene-cyclohexanone
  参考文献：
  名称：

  The first total synthesis of (±)-grimaldone

  摘要：

  The first total synthesis of (+/-)-grimaldone, a tricyclic sesquiterpene containing three contiguous quaternary carbon atoms, and (+/-)-epigrimaldone along with (+/-)-alpha-cuparenone starting from Hagemann's ester is described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00136-2
• 作为产物：
  描述：

  2-Methyl-2-(1-methyl-2-methylene-5-oxo-cyclohexyl)-propionyl chloride 在 盐酸 作用下， 生成 1-Hydroxy-4,4,5-trimethyl-6-methylene-2-oxa-bicyclo[3.3.1]nonan-3-one
  参考文献：
  名称：

  The first total synthesis of (±)-grimaldone

  摘要：

  The first total synthesis of (+/-)-grimaldone, a tricyclic sesquiterpene containing three contiguous quaternary carbon atoms, and (+/-)-epigrimaldone along with (+/-)-alpha-cuparenone starting from Hagemann's ester is described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00136-2

文献信息

• The first total synthesis of (±)-grimaldone
  作者：A Srikrishna、D.B Ramachary

  DOI：10.1016/s0040-4039(00)00136-2

  日期：2000.3

  The first total synthesis of (+/-)-grimaldone, a tricyclic sesquiterpene containing three contiguous quaternary carbon atoms, and (+/-)-epigrimaldone along with (+/-)-alpha-cuparenone starting from Hagemann's ester is described. (C) 2000 Elsevier Science Ltd. All rights reserved.