tris((1-decyl-1H-1,2,3-triazol-4-yl)methyl)amine | 1301627-83-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tris((1-decyl-1H-1,2,3-triazol-4-yl)methyl)amine
• 英文别名: TDTA；1-(1-decyltriazol-4-yl)-N,N-bis[(1-decyltriazol-4-yl)methyl]methanamine
• CAS: 1301627-83-7
• 化学式: C₃₉H₇₂N₁₀
• 分子量: 681.068
• InChiKey: BMGISZHWKSYQGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  49
• 可旋转键数：
  33
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  95.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  癸基溴 在 2,6-二甲基吡啶 、 sodium azide 、 tetrakis(actonitrile)copper(I) hexafluorophosphate 作用下， 以 二甲基亚砜 、 乙腈 为溶剂， 生成 tris((1-decyl-1H-1,2,3-triazol-4-yl)methyl)amine
  参考文献：
  名称：

  CuAAC Macrocyclization: High Intramolecular Selectivity through the Use of Copper–Tris(triazole) Ligand Complexes

  摘要：

  A range of multivalent heteroaryl ligands, copper sources, and solvent systems have been Investigated for use in CuAAC-mediated macrocyclization reactions. These studies have revealed the key factors governing selectivity for macrocyclization versus dimerization and identified a simple but specific set of reaction conditions capable of efficiently generating a diverse series of drug-like macrocycles at modest dilution in up to 95% yield.

  DOI：

  10.1021/ol200861f

文献信息

• CuAAC Macrocyclization: High Intramolecular Selectivity through the Use of Copper–Tris(triazole) Ligand Complexes
  作者：Gagan Chouhan、Keith James

  DOI：10.1021/ol200861f

  日期：2011.5.20

  A range of multivalent heteroaryl ligands, copper sources, and solvent systems have been Investigated for use in CuAAC-mediated macrocyclization reactions. These studies have revealed the key factors governing selectivity for macrocyclization versus dimerization and identified a simple but specific set of reaction conditions capable of efficiently generating a diverse series of drug-like macrocycles at modest dilution in up to 95% yield.