6-tert-butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine | 102649-52-5

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 6,7-苯并吗啡烷
• 英文名称: 6-tert-butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine
• 英文别名: 1-Tert-butyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
• CAS: 102649-52-5
• 化学式: C₁₇H₂₅N
• 分子量: 243.392
• InChiKey: AIFOYIFTUNZIKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-tert-butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine 在 lithium aluminium tetrahydride 、 trichloroethyl chloroformate 、 potassium carbonate 、 三乙胺 、 锌 作用下， 以 乙醚 为溶剂， 反应 82.0h， 生成 6-tert-butyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine
  参考文献：
  名称：

  Analgesic actions of 3-substituted 6-tert-butyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocines

  摘要：

  The synthesis of four 3-substituted 6-tert-butyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocines is described. Derivatives with N-Me or N-phenethyl substituents do not differ significantly in their antinociceptive properties from compounds bearing 6-H or 6-Me; however, they are less active than 6-Ph analogues.

  DOI：

  10.1021/jm00159a038
• 作为产物：
  描述：

  1-methyl-4-tert-butylpyridinium iodide 、 苄基氯化镁 在 sodium tetrahydroborate 、 磷酸 作用下， 生成 6-tert-butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine
  参考文献：
  名称：

  Analgesic actions of 3-substituted 6-tert-butyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocines

  摘要：

  The synthesis of four 3-substituted 6-tert-butyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocines is described. Derivatives with N-Me or N-phenethyl substituents do not differ significantly in their antinociceptive properties from compounds bearing 6-H or 6-Me; however, they are less active than 6-Ph analogues.

  DOI：

  10.1021/jm00159a038

文献信息

• Analgesic actions of 3-substituted 6-tert-butyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocines
  作者：Linda J. James、Robert T. Parfitt

  DOI：10.1021/jm00159a038

  日期：1986.9

  The synthesis of four 3-substituted 6-tert-butyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocines is described. Derivatives with N-Me or N-phenethyl substituents do not differ significantly in their antinociceptive properties from compounds bearing 6-H or 6-Me; however, they are less active than 6-Ph analogues.