(4aR,7S)-7-(1-acetoxy-1-methylethyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone | 57605-76-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4aR,7S)-7-(1-acetoxy-1-methylethyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
• 英文别名: 2-[(2S,4aR)-4a-methyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]propan-2-yl acetate
• CAS: 57605-76-2
• 化学式: C₁₆H₂₄O₃
• 分子量: 264.365
• InChiKey: IFUYXYUWFYEAJU-BLLLJJGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.42
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (4aR,7S)-7-(1-acetoxy-1-methylethyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以95%的产率得到(4aR,7S)-7-(1-hydroxy-1-methylethyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
  参考文献：
  名称：

  Studies on annelation of (+)-2-caranone

  摘要：

  The Michael reaction of (+)-2-caranone (1) with methyl vinyl ketone, ethyl vinyl ketone or methyl acrylate was utilized for synthesis of corresponding diketones 4 and 5 and keto ester 8. These compounds were subjected to cyclization to obtain the sesquiterpenoid systems.

  DOI：

  10.1007/bf00811111
• 作为产物：
  描述：

  Acetic acid 1-((2S,4aR,8S,8aR)-8-bromo-4a-methyl-7-oxo-decahydro-naphthalen-2-yl)-1-methyl-ethyl ester 在 lithium carbonate 、 lithium bromide 作用下， 生成 (4aR,7S)-7-(1-acetoxy-1-methylethyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
  参考文献：
  名称：

  Harayama,T. et al., Chemical and pharmaceutical bulletin, 1977, vol. 25, p. 2273 - 2282

  摘要：

  DOI：

文献信息

• Harayama,T. et al., Chemical and pharmaceutical bulletin, 1977, vol. 25, p. 2273 - 2282
  作者：Harayama,T. et al.

  DOI：——

  日期：——
• Studies on annelation of (+)-2-caranone
  作者：Cezary Hebda、Jerzy Szykula、J�zef Orpiszewski、Baldur F�hlisch

  DOI：10.1007/bf00811111

  日期：1991.12

  The Michael reaction of (+)-2-caranone (1) with methyl vinyl ketone, ethyl vinyl ketone or methyl acrylate was utilized for synthesis of corresponding diketones 4 and 5 and keto ester 8. These compounds were subjected to cyclization to obtain the sesquiterpenoid systems.