1-(3-ethyl-5,6,7,8-tetrahydro-8,8-dimethyl-2-naphthalenyl)ethanone | 27413-60-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 1-(3-ethyl-5,6,7,8-tetrahydro-8,8-dimethyl-2-naphthalenyl)ethanone
• 英文别名: 1,1-dimethyl-6-ethyl-7-acetyl-tetralin；1.1-Dimethyl-6-aethyl-7-acetyl-tetralin；1-(3-Ethyl-8,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone；1-(3-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethanone
• CAS: 27413-60-1
• 化学式: C₁₆H₂₂O
• 分子量: 230.35
• InChiKey: AZFAOTYMIGLAPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(3-ethyl-5,6,7,8-tetrahydro-8,8-dimethyl-2-naphthalenyl)ethanone 在 sodium hydroxide 、 溴 作用下， 以 1,4-二氧六环 为溶剂， 以95%的产率得到3-ethyl-5,6,7,8-tetrahydro-8,8-dimethyl-2-naphthalenecarboxylic acid
  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：

  在 三氯化铝 、 硫酸 作用下， 生成 1-(3-ethyl-5,6,7,8-tetrahydro-8,8-dimethyl-2-naphthalenyl)ethanone
  参考文献：
  名称：

  Polycyclic Musks. I. Acyl- and Dinitropolyalkyltetralin Derivatives

  摘要：

  DOI：

  10.1021/jo01044a022

文献信息

• Selective syntheses of substituted 6-alkyl-1,1-dimethyl-1,2,3,4-tetrahydronaphthalenes
  作者：John J. Parlow

  DOI：10.1016/s0040-4020(01)86337-7

  日期：1993.3

  Beta-ionone is cyclized to 1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene in 80-95% yield. Selective derivatization at the 5- and/or 7-positions of 6-alkyl-1,1-dimethyl-1,2,3,4-tetrahydronaphthalenes was achieved by nitration, acylation, and reduction.
• Polycyclic Musks. I. Acyl- and Dinitropolyalkyltetralin Derivatives
  作者：T. F. Wood、W. M. Easter、M. S. Carpenter、J. Angiolini

  DOI：10.1021/jo01044a022

  日期：1963.9
• Synthesis and herbicidal activity of substituted tetrahydronaphthalenes: I
  作者：John J. Parlow、Martin D. Mahoney

  DOI：10.1002/ps.2780440206

  日期：1995.6

  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.