1-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(6-bromopyridin-2-yl)-N,N-dimethylmethanamine | 1246396-76-8

• 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-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(6-bromopyridin-2-yl)-N,N-dimethylmethanamine
• 英文别名: 1-(benzotriazol-1-yl)-1-(6-bromopyridin-2-yl)-N,N-dimethylmethanamine
• CAS: 1246396-76-8
• 化学式: C₁₄H₁₄BrN₅
• 分子量: 332.203
• InChiKey: JELAWXDRPYYSGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  46.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(6-bromopyridin-2-yl)-N,N-dimethylmethanamine 、 magnesium,3-methanidylpentane,bromide 以 四氢呋喃 、 乙醚 为溶剂， 反应 15.0h， 生成 1-(6-bromopyridin-2-yl)-3-ethyl-N,N-dimethylpentan-1-amine
  参考文献：
  名称：

  A practical synthesis of N,N-dimethyl-(6-arylpyrid-2-yl)alkylamines

  摘要：

  Described is a multigram synthesis of pyridyl amine ligands, which are being studied for their potential use in commercial processes. A practical scale-up was hindered by benzotriazole byproducts of a Grignard addition. With an improved purification to remove these byproducts and a strategic re-ordering of synthetic steps, an array of N,N-dimethyl-(6-arylpyrid-2-yl)alkylamines was made efficiently on large scales. (c) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2010.08.069
• 作为产物：
  描述：

  T406石油添加剂 、 6-溴吡啶-2-甲醛 、 二甲胺 在 magnesium sulfate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.5h， 生成 1-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(6-bromopyridin-2-yl)-N,N-dimethylmethanamine
  参考文献：
  名称：

  A practical synthesis of N,N-dimethyl-(6-arylpyrid-2-yl)alkylamines

  摘要：

  Described is a multigram synthesis of pyridyl amine ligands, which are being studied for their potential use in commercial processes. A practical scale-up was hindered by benzotriazole byproducts of a Grignard addition. With an improved purification to remove these byproducts and a strategic re-ordering of synthetic steps, an array of N,N-dimethyl-(6-arylpyrid-2-yl)alkylamines was made efficiently on large scales. (c) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2010.08.069

文献信息

• A practical synthesis of N,N-dimethyl-(6-arylpyrid-2-yl)alkylamines
  作者：Catherine A. Faler

  DOI：10.1016/j.tetlet.2010.08.069

  日期：2010.10

  Described is a multigram synthesis of pyridyl amine ligands, which are being studied for their potential use in commercial processes. A practical scale-up was hindered by benzotriazole byproducts of a Grignard addition. With an improved purification to remove these byproducts and a strategic re-ordering of synthetic steps, an array of N,N-dimethyl-(6-arylpyrid-2-yl)alkylamines was made efficiently on large scales. (c) 2010 Published by Elsevier Ltd.