(Z,1S)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (Z,1S)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
• 英文别名: (Z)-1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-2-en-1-one
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: CRIGTVCBMUKRSL-HWPRWLFBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• Process for preparing α-damascone
  申请人：BASF SE

  公开号：US10150730B2

  公开（公告）日：2018-12-11

  The present invention relates to a process for preparing 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one, which comprises a) providing 6,10-dimethylundeca-1,5,9-trien-4-ol, b) oxidizing 6,10-dimethylundeca-1,5,9-trien-4-ol provided in step a) with an oxidizing agent in the presence of at least one organic nitroxyl radical, at least one nitrate compound and an inorganic solid to yield 6,10-dimethylundeca-1,5,9-trien-4-one, c) reacting the 6,10-dimethylundeca-1,5,9-trien-4-one obtained in step b) with an acid to yield 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one.

  本发明涉及一种制备 1-(2,6,6-三甲基环己-2-烯-1-基)丁-2-烯-1-酮的工艺，该工艺包括 a) 提供 6,10-二甲基十一碳-1,5,9-三烯-4-醇； b) 在至少一种有机硝氧自由基、至少一种硝酸盐化合物和一种无机固体存在的情况下，用氧化剂氧化步骤 a) 中提供的 6,10-二甲基十一碳-1,5,9-三烯-4-醇、c) 将步骤 b) 中得到的 6,10-二甲基十一碳-1,5,9-三烯-4-酮与酸反应，得到 1-(2,6,6-三甲基环己-2-烯-1-基)丁-2-烯-1-酮。
• PROCESS FOR PREPARING ALPHA-DAMASCONE
  申请人：BASF SE

  公开号：US20180244613A1

  公开（公告）日：2018-08-30

  The present invention relates to a process for preparing 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one, which comprises a) providing 6,10-dimethylundeca-1,5,9-trien-4-ol, b) oxidizing 6,10-dimethylundeca-1,5,9-trien-4-ol provided in step a) with an oxidizing agent in the presence of at least one organic nitroxyl radical, at least one nitrate compound and an inorganic solid to yield 6,10-dimethylundeca-1,5,9-trien-4-one, c) reacting the 6,10-dimethylundeca-1,5,9-trien-4-one obtained in step b) with an acid to yield 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one.