cis-1-oxa-4-decalone | 51600-16-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: cis-1-oxa-4-decalone
• 英文别名: (4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
• CAS: 51600-16-9
• 化学式: C₉H₁₄O₂
• 分子量: 154.209
• InChiKey: OEUIHCUJHMNEON-VXNVDRBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  cis-1-oxa-4-decalone 在 三乙胺 作用下， 以 乙醇 为溶剂， 生成 trans-1-oxa-4-decalone
  参考文献：
  名称：

  π-Facial selectivities of diastereotopic ketones:p-bromobenzoates of 4-hetero-1-decalinols

  摘要：

  The crystal structures of the p-bromobenzoates of cis-4-oxa-1-decalinyl (C16H19BrO3), trans-4-oxa-1-decalinyl (C16H19BrO3), N-benzyl-cis-4-aza-1-decalinyl (C23H26BrNO2), N-benzyl-trans-4-aza-1-decalinyl (C23H26BrNO2) and trans-4-thia-1-decalinyl (C16H19BrO2S) (decalin is perhydronaphthalene) have been determined as part of a study directed at predicting and interpreting the pi -facial selectivities of diastereotopic ketones in reactions with nucleophiles. All five structures are composed of molecules that are separated by normal van der Waals distances. In all five structures, the heterocyclic and cyclohexyl rings adopt chair conformations, and the p-bromobenzoate groups are planar.

  DOI：

  10.1107/s0108270101009544
• 作为产物：
  描述：

  4-t-butyl-1-(morpholin-4-yl)cyclohex-1-ene 在 镍 jones reagent 、 氢气 作用下， 以 丙酮 为溶剂， 80.0 ℃ 、10.13 MPa 条件下， 反应 7.0h， 生成 cis-1-oxa-4-decalone
  参考文献：
  名称：

  1-Oxa-4-decalone derivatives. Synthesis and structure

  摘要：

  DOI：

  10.1021/jo00195a024

文献信息

• 1-Oxa-4-decalone derivatives. Synthesis and structure
  作者：Rene Dolmazon、Suzanne Gelin

  DOI：10.1021/jo00195a024

  日期：1984.10
• π-Facial selectivities of diastereotopic ketones:<i>p</i>-bromobenzoates of 4-hetero-1-decalinols
  作者：Masood Parvez、Veejendra K. Yadav、Rengarajan Balamurugan

  DOI：10.1107/s0108270101009544

  日期：2001.9.15

  The crystal structures of the p-bromobenzoates of cis-4-oxa-1-decalinyl (C16H19BrO3), trans-4-oxa-1-decalinyl (C16H19BrO3), N-benzyl-cis-4-aza-1-decalinyl (C23H26BrNO2), N-benzyl-trans-4-aza-1-decalinyl (C23H26BrNO2) and trans-4-thia-1-decalinyl (C16H19BrO2S) (decalin is perhydronaphthalene) have been determined as part of a study directed at predicting and interpreting the pi -facial selectivities of diastereotopic ketones in reactions with nucleophiles. All five structures are composed of molecules that are separated by normal van der Waals distances. In all five structures, the heterocyclic and cyclohexyl rings adopt chair conformations, and the p-bromobenzoate groups are planar.