2-((1R,3S)-1-Ethoxy-4-methyl-3-morpholin-4-yl-pentyl)-2H-benzotriazole

• 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: 2-((1R,3S)-1-Ethoxy-4-methyl-3-morpholin-4-yl-pentyl)-2H-benzotriazole
• 英文别名: 4-[(1R,3S)-1-(benzotriazol-2-yl)-1-ethoxy-4-methylpentan-3-yl]morpholine
• 化学式: C₁₈H₂₈N₄O₂
• 分子量: 332.446
• InChiKey: VYZMOIPZGXCTLZ-ZWKOTPCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  吗啉 、 T406石油添加剂 、 异丁醛 、 乙烯基乙醚 在 magnesium sulfate 、 对甲苯磺酸 作用下， 生成 2-((1R,3S)-1-Ethoxy-4-methyl-3-morpholin-4-yl-pentyl)-2H-benzotriazole 、 2-((1S,3S)-1-Ethoxy-4-methyl-3-morpholin-4-yl-pentyl)-2H-benzotriazole 、 1-((1R,3R)-1-Ethoxy-4-methyl-3-morpholin-4-yl-pentyl)-1H-benzotriazole 、 1-((1R,3S)-1-Ethoxy-4-methyl-3-morpholin-4-yl-pentyl)-1H-benzotriazole
  参考文献：
  名称：

  Additions of 1-(.alpha.-aminoalkyl)benzotriazoles to enol ethers. New routes to 1,3-amino ethers

  摘要：

  1-(alpha-Aminoalkyl)benzotriazoles add readily to enol ethers to give the corresponding 1-benzotriazolyl-3-aminoalkyl ethers in high yields. Subsequent replacement of the benzotriazole moiety by an alkyl or aryl group (with a Grignard reagent) or by a hydrogen atom (with lithium aluminum hydride) affords 1,3-amino-ethers in good yields. Anchimeric assistance by the amino groups in the substitutions of the benzotriazolyl moiety facilitates the reactions. Full stereochemistry is assigned to the stereoisomeric products on the basis of NMR techniques and X-ray diffraction.

  DOI：

  10.1021/jo00044a031

文献信息

• Additions of 1-(.alpha.-aminoalkyl)benzotriazoles to enol ethers. New routes to 1,3-amino ethers
  作者：Alan R. Katritzky、Stanislaw Rachwal、Bogumila Rachwal、Peter J. Steel

  DOI：10.1021/jo00044a031

  日期：1992.8

  1-(alpha-Aminoalkyl)benzotriazoles add readily to enol ethers to give the corresponding 1-benzotriazolyl-3-aminoalkyl ethers in high yields. Subsequent replacement of the benzotriazole moiety by an alkyl or aryl group (with a Grignard reagent) or by a hydrogen atom (with lithium aluminum hydride) affords 1,3-amino-ethers in good yields. Anchimeric assistance by the amino groups in the substitutions of the benzotriazolyl moiety facilitates the reactions. Full stereochemistry is assigned to the stereoisomeric products on the basis of NMR techniques and X-ray diffraction.