1,2-Bis-(3-azido-prop-1-ynyl)-benzene | 305367-56-0

• 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: 1,2-Bis-(3-azido-prop-1-ynyl)-benzene
• 英文别名: 1,2-Bis(3-azidoprop-1-ynyl)benzene；1,2-bis(3-azidoprop-1-ynyl)benzene
• CAS: 305367-56-0
• 化学式: C₁₂H₈N₆
• 分子量: 236.236
• InChiKey: QSGKDVLBTPUYMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  28.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-Bis-(3-azido-prop-1-ynyl)-benzene 在 水 、 三苯基膦 作用下， 以 甲苯 为溶剂， 生成 3-[2-(3-aminoprop-1-ynyl)phenyl]prop-2-ynylamine
  参考文献：
  名称：

  Synthesis and thermal reactivity of a novel bis-salicylaldimino enediyne and its Cu(II) and Ni(II) complexes

  摘要：

  A novel bis-salicylaldimino enediyne 1, along with its Ni(II) and Cu(II) complexes 6 and 7, respectively, were prepared. Differential Scanning Calorimetric studies revealed an elevation of the onset temperature for Bergman cyclization upon complexation. (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(00)01233-8
• 作为产物：
  描述：

  1,2-bis(1-methylsulfonyloxyprop-1-yn-1-yl)benzene 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1,2-Bis-(3-azido-prop-1-ynyl)-benzene
  参考文献：
  名称：

  Synthesis and thermal reactivity of a novel bis-salicylaldimino enediyne and its Cu(II) and Ni(II) complexes

  摘要：

  A novel bis-salicylaldimino enediyne 1, along with its Ni(II) and Cu(II) complexes 6 and 7, respectively, were prepared. Differential Scanning Calorimetric studies revealed an elevation of the onset temperature for Bergman cyclization upon complexation. (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(00)01233-8

文献信息

• Synthesis and reactivity of enediyne–nucleobase hybrids: effect of intramolecular π-stacking
  作者：Snigdha Roy、Subhendu Sekhar Bag、Amit Basak

  DOI：10.1016/j.tet.2012.07.093

  日期：2012.10

  been synthesized to explore the effect of π-stacking interaction in accelerating the rate of Bergman cyclization (BC). Chemical reactivity study, both experimental and computations demonstrated the important role that aromatic π-stacking interactions between the appended nucleobases within an enediyne frame play in lowering the activation barrier of Bergman cyclization.

  含有核碱基-烯二炔类的三个不同类别的1 - 9具有不同接头的性质已经合成探索加速伯格曼环化反应（BC）的速率π堆积相互作用的效果。化学反应性研究，无论是实验还是计算，都证明了烯二炔构架内附加核碱基之间的芳香π堆积相互作用在降低Bergman环化活化障碍中的重要作用。
• Synthesis and thermal reactivity of a novel bis-salicylaldimino enediyne and its Cu(II) and Ni(II) complexes
  作者：Amit Basak、Kakali Rani Rudra

  DOI：10.1016/s0040-4039(00)01233-8

  日期：2000.9

  A novel bis-salicylaldimino enediyne 1, along with its Ni(II) and Cu(II) complexes 6 and 7, respectively, were prepared. Differential Scanning Calorimetric studies revealed an elevation of the onset temperature for Bergman cyclization upon complexation. (C) 2000 Published by Elsevier Science Ltd.