1,2,3,4-Tetrahydro-1,1,6-trimethyl-7-nitronaphthalene | 149620-29-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,2,3,4-Tetrahydro-1,1,6-trimethyl-7-nitronaphthalene
• CAS: 149620-29-1
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: ZIKZSMVPUUATNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.52
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  43.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,2,3,4-Tetrahydro-1,1,6-trimethyl-7-nitronaphthalene 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 20.0~40.0 ℃ 、344.74 kPa 条件下， 生成 2,2,2-Trifluoro-N-(3,8,8-trimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-acetamide
  参考文献：
  名称：

  Synthesis and herbicidal activity of substituted tetrahydronaphthalenes: I

  摘要：

  AbstractThis paper reports the synthesis and the biological activity of substituted 6‐alkyl‐1,2,3,4‐tetrahydro‐1,1‐dimethylnaphthalenes in which the substituents at the 5‐ and/or 7‐position are varied with a multitide of functional groups. These compounds exhibited pre‐emergent herbicidal activity which was a function of the electron‐withdrawing ability and the size of the groups substituted at the 5‐ and/or 7‐position. Nitro and/or nitrile groups at these positions tended to optimize activity.

  DOI：

  10.1002/ps.2780440206
• 作为产物：
  描述：

  1,2,3,4-四氢-1,1,6-三甲基萘 在 硝酸 、 乙酸酐 作用下， 以 溶剂黄146 为溶剂， 反应 0.25h， 以70%的产率得到1,2,3,4-Tetrahydro-1,1,6-trimethyl-7-nitronaphthalene
  参考文献：
  名称：

  Synthesis and herbicidal activity of substituted tetrahydronaphthalenes: I

  摘要：

  AbstractThis paper reports the synthesis and the biological activity of substituted 6‐alkyl‐1,2,3,4‐tetrahydro‐1,1‐dimethylnaphthalenes in which the substituents at the 5‐ and/or 7‐position are varied with a multitide of functional groups. These compounds exhibited pre‐emergent herbicidal activity which was a function of the electron‐withdrawing ability and the size of the groups substituted at the 5‐ and/or 7‐position. Nitro and/or nitrile groups at these positions tended to optimize activity.

  DOI：

  10.1002/ps.2780440206