4-异丙基-2-甲基-2,4,6-环庚三烯-1-酮 | 143768-61-0

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 中文名称: 4-异丙基-2-甲基-2,4,6-环庚三烯-1-酮
• 中文别名: 苯酰胺,3,4,5-三(乙酰氧基)-N-[6-氨基-1-(4-氟苯基)-1,2,3,4-四氢-3-甲基-2,4-二羰基-5-嘧啶基]-
• 英文名称: 4-Isopropyl-2-methyl-cyclohepta-2,4,6-trienone
• 英文别名: 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
• CAS: 143768-61-0
• 化学式: C₁₁H₁₄O
• mdl: MFCD18812160
• 分子量: 162.232
• InChiKey: ZJNKLCZTEWTMIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-Isopropyl-7,7-dimethoxy-1-methyl-cyclohepta-1,3,5-triene 在 硫酸 作用下， 生成 4-异丙基-2-甲基-2,4,6-环庚三烯-1-酮
  参考文献：
  名称：

  Regioselective synthesis of substituted tropones and azulenes using anodic oxidation of cycloheptatriene systems as the key reaction

  摘要：

  Regioselective synthesis of di- and trisubstituted tropones has been attained by utilizing anodic oxidation of cycloheptatriene systems as the key reaction. This anodic oxidation has also been found to be useful for the regioselective synthesis of mono- and disubstituted azulenes.

  DOI：

  10.1016/s0040-4039(00)74254-7

文献信息

• Oral Care Compositions Comprising Tropolone Compounds and Essential Oils and Methods of Using The Same
  申请人：Pan Pauline

  公开号：US20090081134A1

  公开（公告）日：2009-03-26

  The present invention relates to oral care compositions suitable for preventing or treating diseases or conditions of the oral cavity in warm-blooded animals including humans, comprising an oral care effective amount of at least one tropolone compound in combination with at least one essential oil, and a pharmaceutically acceptable oral carrier. This invention further relates to a method for preventing or treating diseases or conditions of the oral cavity in warm-blooded animals including humans, by applying an oral care effective amount of the oral care composition to the oral cavity.