1-((4-bromophenoxy)methyl)-1H-benzo[d][1,2,3]triazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-((4-bromophenoxy)methyl)-1H-benzo[d][1,2,3]triazole
• 英文别名: 1-(4-Bromo-phenoxymethyl)-1H-benzotriazole；1-[(4-bromophenoxy)methyl]benzotriazole
• 化学式: C₁₃H₁₀BrN₃O
• 分子量: 304.146
• InChiKey: BOOMHLUDIOHVOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  T406石油添加剂 、 4-溴苯甲醚 在 叔丁基过氧化氢 、 水 、 四丁基碘化铵 作用下， 反应 12.0h， 以70%的产率得到1-((4-bromophenoxy)methyl)-1H-benzo[d][1,2,3]triazole
  参考文献：
  名称：

  Bu₄NI Catalyzed C–N Bond Formation via Cross-Dehydrogenative Coupling of Aryl Ethers (C_sp3–H) and Tetrazoles (N–H)

  摘要：

  Intermolecular C-N bond formations via cross-dehydrogenative coupling (CDC) of aryl ethers and tetrazoles have been developed under a metal-free condition. In the presence of catalytic amount of tetrabutylammonium iodide (TBAI) and aqueous TBHP, aryl ethers coupled efficiently with tetrazoles to afford hemiaminal ethers. This strategy showed high level of regioselectivity for substrates possessing multiple sp(3) C-H bonds adjacent to the ethereal oxygen.

  DOI：

  10.1021/acs.orglett.5b02749

文献信息

• Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications
  申请人：Molaire Consulting

  公开号：US20150275076A1

  公开（公告）日：2015-10-01

  The present invention provides charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof comprising at least two nonpolymeric compounds each independently corresponding to the structure (R 1 Y 1 ) p [(Z 1 Y 2 ) m R 2 Y 3 ] n Z 2 Y 4 R 3 wherein m is zero or one; n is zero up to an integer at which said compound starts to become a polymer; p is an integer of from one to eight; each R 1 and R 3 is independently a monovalent aliphatic or cycloaliphatic hydrocarbon group having 1 to 20 carbon atoms, an aromatic group or a multicyclic aromatic nucleus; R 2 , Z 1 , and Z 2 each independently represent multivalent aliphatic or cycloaliphatic hydrocarbon groups having 1 to 20 carbon atoms or an aromatic group; and Y 1 , Y 2 , Y 3 and Y 4 each independently represent a triple bond, a double bond, or a single bond link.