Decan-2-on-semicarbazon | 3622-72-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: Decan-2-on-semicarbazon
• 英文别名: (decan-2-ylideneamino)urea
• CAS: 3622-72-8
• 化学式: C₁₁H₂₃N₃O
• 分子量: 213.323
• InChiKey: WUSLXBBONUZGFT-UHFFFAOYSA-N

物化性质

• 熔点：
  119 °C
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.78
• 重原子数：
  15.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  67.48
• 氢给体数：
  2.0
• 氢受体数：
  2.0

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  Decan-2-on-semicarbazon 在 iodine monofluoride 作用下， 反应 4.0h， 以20%的产率得到2,2-Difluorodecane
  参考文献：
  名称：

  A novel transformation of a carbonyl to a CF2 group

  摘要：

  DOI：

  10.1021/ja00237a043

文献信息

• Conversion of the carbonyl group to CF2 using iodine monofluoride (IF)
  作者：Shlomo Rozen、Dov Zamir

  DOI：10.1021/jo00015a024

  日期：1991.7

  A novel method for the transformation of CO --> CF2 is described. The easily made hydrazone derivatives of the carbonyl moiety are reacted under mild conditions with IF prepared directly from the corresponding elements. Various hydrazones have been examined and compared with each other. Unsubstituted ones are usually the most suitable although they are not always easy to purify and store. N-Methyl- and N,N-dimethylhydrazones also give quite satisfactory results. The more easily made dinitrophenyl hydrazones (DNPs), semicarbazones, and tosylhydrazones also react, but the yields of the desired CF2 compounds are usually lower. Oximes could also be successfully reacted. The two main byproducts of the reaction are the parent carbonyl compounds, which can be recycled, and the alpha-iododifluoro derivatives. The latter upon treatment with LiAlH4 or Bu3SnH were reduced to the desired product, thus increasing the overall yields.
• A novel transformation of a carbonyl to a CF2 group
  作者：Shlomo Rozen、Michael Brand、Dov Zamir

  DOI：10.1021/ja00237a043

  日期：1987.2