1-(5,6,7,8-tetrahydro-1,3,5,5-tetramethyl-2-naphthalenyl)ethanone | 156868-52-9

• 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-(5,6,7,8-tetrahydro-1,3,5,5-tetramethyl-2-naphthalenyl)ethanone
• 英文别名: 1-(1,3,5,5-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanone
• CAS: 156868-52-9
• 化学式: C₁₆H₂₂O
• 分子量: 230.35
• InChiKey: KQCCWEASFRAGID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  17
• 可旋转键数：
  1
• 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-(5,6,7,8-tetrahydro-1,3,5,5-tetramethyl-2-naphthalenyl)ethanone 在 sodium hydroxide 、 溴 作用下， 以 1,4-二氧六环 为溶剂， 以56%的产率得到5,6,7,8-tetrahydro-1,3,5,5-tetramethyl-2-naphthalenecarboxylic acid
  参考文献：
  名称：

  Synthesis and Herbicidal Activity of Substituted Tetrahydronaphthalenes (Part II)

  摘要：

  This paper reports the synthesis and the biological activity of novel tetrahydronaphthalenes with substitution of functional groups at each position of the aromatic ring and substitution of various alkyl groups at the 1-position of the non-aromatic ring. These compounds exhibited pre-emergent herbicidal activity which was determined by the orientation and type of functional groups on the aromatic ring with the 1,1-dimethyl substitution on the non-aromatic ring. The activity tended to be highest for nitro or methyl at the 5- and 7-positions with an amino or ester group at the 6-position and a dimethyl substitution at the 1-position.

  DOI：

  10.1002/(sici)1096-9063(199603)46:3<227::aid-ps358>3.0.co;2-v
• 作为产物：
  描述：

  3-(2,4-二甲基苯甲酰基)丙酸 在 palladium on activated charcoal 盐酸 、 三氯化铝 、 草酰氯 、 水 、 氢气 、 三乙胺 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 25.0 ℃ 、344.73 kPa 条件下， 反应 52.0h， 生成 1-(5,6,7,8-tetrahydro-1,3,5,5-tetramethyl-2-naphthalenyl)ethanone
  参考文献：
  名称：

  四氢萘的合成。第二部分

  摘要：

  描述了利用环脱水方法的合成，以制备在芳香环的每个位置上被官能团取代并且在非芳香环的1-位上被多个烷基取代的新型四氢萘。

  DOI：

  10.1016/s0040-4020(01)87011-3

文献信息

• Syntheses of tetrahydronaphthalenes. Part II
  作者：John J. Parlow

  DOI：10.1016/s0040-4020(01)87011-3

  日期：1994.3

  Syntheses utilizing the cyclodehydration method to prepare novel tetrahydronaphthalenes substituted with functional groups at each position of the aromatic ring and various alkyl groups at the 1-position of the non-aromatic ring are described.

  描述了利用环脱水方法的合成，以制备在芳香环的每个位置上被官能团取代并且在非芳香环的1-位上被多个烷基取代的新型四氢萘。
• Synthesis and Herbicidal Activity of Substituted Tetrahydronaphthalenes (Part II)
  作者：John J. Parlow、Martin D. Mahoney

  DOI：10.1002/(sici)1096-9063(199603)46:3<227::aid-ps358>3.0.co;2-v

  日期：1996.3

  This paper reports the synthesis and the biological activity of novel tetrahydronaphthalenes with substitution of functional groups at each position of the aromatic ring and substitution of various alkyl groups at the 1-position of the non-aromatic ring. These compounds exhibited pre-emergent herbicidal activity which was determined by the orientation and type of functional groups on the aromatic ring with the 1,1-dimethyl substitution on the non-aromatic ring. The activity tended to be highest for nitro or methyl at the 5- and 7-positions with an amino or ester group at the 6-position and a dimethyl substitution at the 1-position.