1-benzoyl-[5,6]-benz-1-aza-cyclodec-3,7-diyne | 457071-70-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-benzoyl-[5,6]-benz-1-aza-cyclodec-3,7-diyne
• 英文别名: 5-Azabicyclo[8.4.0]tetradeca-1(14),10,12-trien-2,8-diyn-5-yl(phenyl)methanone
• CAS: 457071-70-4
• 化学式: C₂₀H₁₅NO
• 分子量: 285.345
• InChiKey: TVPRMAFGZJHLHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-benzoyl-[5,6]-benz-1-aza-cyclodec-3,7-diyne 以 氘代氯仿 为溶剂， 生成
  参考文献：
  名称：

  Benzene fused monocyclic enediynyl amides: synthesis, reactivity and DNA-Cleavage activity in comparison to the corresponding sulfonamides

  摘要：

  Monocyclic enediynyl amides 2a 2c have been synthesized via the corresponding free amine 5. Kinetic studies in chloroform revealed the reactivity of these amides towards Bergman cyclization to be less than that of the corresponding sulfonamides. However, differential scanning calorimetry (DSC) measurements in the solid state and DNA-cleavage studies in aqueous buffer showed higher reactivity for the amides than the sulphonamides. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00029-x
• 作为产物：
  描述：

  methanesulfonic acid 4-{2-[3-(tetrahydro-pyran-2-yloxy)-prop-1-ynyl]-phenyl}-but-3-ynyl ester 在 sodium azide 、 4-甲基苯磺酸吡啶 、 potassium carbonate 、 苯硫酚 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-benzoyl-[5,6]-benz-1-aza-cyclodec-3,7-diyne
  参考文献：
  名称：

  Benzene fused monocyclic enediynyl amides: synthesis, reactivity and DNA-Cleavage activity in comparison to the corresponding sulfonamides

  摘要：

  Monocyclic enediynyl amides 2a 2c have been synthesized via the corresponding free amine 5. Kinetic studies in chloroform revealed the reactivity of these amides towards Bergman cyclization to be less than that of the corresponding sulfonamides. However, differential scanning calorimetry (DSC) measurements in the solid state and DNA-cleavage studies in aqueous buffer showed higher reactivity for the amides than the sulphonamides. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00029-x

文献信息

• Benzene fused monocyclic enediynyl amides: synthesis, reactivity and DNA-Cleavage activity in comparison to the corresponding sulfonamides
  作者：Amit Basak、Subrata Mandal、Amit Kumar Das、Valerio Bertolasi

  DOI：10.1016/s0960-894x(02)00029-x

  日期：2002.3

  Monocyclic enediynyl amides 2a 2c have been synthesized via the corresponding free amine 5. Kinetic studies in chloroform revealed the reactivity of these amides towards Bergman cyclization to be less than that of the corresponding sulfonamides. However, differential scanning calorimetry (DSC) measurements in the solid state and DNA-cleavage studies in aqueous buffer showed higher reactivity for the amides than the sulphonamides. (C) 2002 Published by Elsevier Science Ltd.