2-(azepan-2-ylidene)-1-phenylbutane-1,3-dione | 1286205-70-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-(azepan-2-ylidene)-1-phenylbutane-1,3-dione
• CAS: 1286205-70-6
• 化学式: C₁₆H₁₉NO₂
• 分子量: 257.332
• InChiKey: SHUKBLOVRTWNKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.88
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.17
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(azepan-2-ylidene)-1-phenylbutane-1,3-dione 在 甲醇 、 sodium 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 5.5h， 生成 4-benzoyl-1,1-diphenyl-2-(4-methylphenyl)-2,5,6,7,8,9-hexahydro-1H-[1,2,4,3λ4]triazaborino[4,5-d]azepine
  参考文献：
  名称：

  A new bicyclic oxazaborines with a bridged nitrogen atom, their thermic rearrangement and fluorescence properties

  摘要：

  Cyclic beta-enaminones bearing secondary amino group react with 4-substituted benzenediazonium tetraphenylborates in dichloromethane to form substituted bicyclic [1,3,2 lambda(4)] oxazaborines The oxazaborines rearrange, on heating to 200 degrees C in the absence of solvent or in DMF or DMSO, to isomeric 2H-[1,2,4,3 lambda(4)] triazaborines. Previously prepared [1,3,2 lambda(4)] oxazaborines derived from acyclic beta-enaminones bearing secondary amino group either did not undergo the rearrangement or with a lot of difficulties and with negligible yield. The fluorescence behaviour of the prepared triazaborines was observed. These compounds fluoresce in 2-methyltetrahydrofurane and in solid state under low temperatures. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.11.004
• 作为产物：
  描述：

  1-氮杂-2-甲氧基-1-环庚烯 、 1-苯基-1,3-丁二酮 在 bis(acetylacetonate)nickel(II) 作用下， 反应 24.0h， 以53%的产率得到2-(azepan-2-ylidene)-1-phenylbutane-1,3-dione
  参考文献：
  名称：

  A new bicyclic oxazaborines with a bridged nitrogen atom, their thermic rearrangement and fluorescence properties

  摘要：

  Cyclic beta-enaminones bearing secondary amino group react with 4-substituted benzenediazonium tetraphenylborates in dichloromethane to form substituted bicyclic [1,3,2 lambda(4)] oxazaborines The oxazaborines rearrange, on heating to 200 degrees C in the absence of solvent or in DMF or DMSO, to isomeric 2H-[1,2,4,3 lambda(4)] triazaborines. Previously prepared [1,3,2 lambda(4)] oxazaborines derived from acyclic beta-enaminones bearing secondary amino group either did not undergo the rearrangement or with a lot of difficulties and with negligible yield. The fluorescence behaviour of the prepared triazaborines was observed. These compounds fluoresce in 2-methyltetrahydrofurane and in solid state under low temperatures. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.11.004