2-[(2,4-Dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one | 139484-05-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-[(2,4-Dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
• CAS: 139484-05-2
• 化学式: C₂₅H₃₂O₆
• 分子量: 428.525
• InChiKey: PEGZZIZHZPXEII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 2,4-二甲氧基苯甲醛 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 16.0h， 以84%的产率得到2-[(2,4-Dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
  参考文献：
  名称：

  Nagarajan, K; Shenoy, S J, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1992, vol. 31, # 2, p. 73 - 87

  摘要：

  DOI：

文献信息

• Transition metal and base free coupling of N-tosylhydrazones with 1,3-dicarbonyl compound
  作者：Deepika Choudhary、Chanchal Agrawal、Vineeta Khatri、Ranjit Thakuria、Ashok K. Basak

  DOI：10.1016/j.tetlet.2017.02.001

  日期：2017.3

  N-tosylhydrazones derived from a wide variety of aryl, alkyl and heteroaryl aldehydes undergo smooth coupling with 5,5-dimethylcyclohexane-1,3-dione under transition metal and base free conditions to generate tetraketo compounds in high yields. In presence of a base, the coupling reaction generates beta-keto enol ether as the major product in a polar aprotic solvent. N-Tosylhydrazone can also be converted to xanthenedione in high yields in one-pot operation under mild acidic conditions. (C) 2017 Elsevier Ltd. All rights reserved.
• Nagarajar K., Shenoy S. J., Indian J. Chem. A, 31 (1992) N 2, S 73-87
  作者：Nagarajar K., Shenoy S. J.

  DOI：——

  日期：——
• Nagarajan, K; Shenoy, S J, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1992, vol. 31, # 2, p. 73 - 87
  作者：Nagarajan, K、Shenoy, S J

  DOI：——

  日期：——