2-[(2,4-Dichlorophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione

• 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-Dichlorophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
• 英文别名: 2-[(2,4-dichlorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
• 化学式: C₂₃H₂₆Cl₂O₄
• 分子量: 437.363
• InChiKey: DQTUPAIZFSEFNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(2,4-Dichlorophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione 在 magnesium sulfate 作用下， 以 甲醇 为溶剂， 以70%的产率得到9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8-(2H)-dione
  参考文献：
  名称：

  Diammonium Hydrogen Phosphate as a Neutral and Efficient Catalyst for Synthesis of 1,8‐Dioxo‐octahydroxanthene Derivatives in Aqueous Media

  摘要：

  A new and efficient method to synthesize a 3,3,6,6,9-aryl-l,8-dioxo-octa-hydroxanthene derivative using diammonium hydrogen phosphate as catalyst was performed in water at room temperature in a short periods.

  DOI：

  10.1080/00397910701196520
• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 2,4-二氯苯甲醛 在 ammonium dihydrogen phosphate 作用下， 以 水 为溶剂， 反应 1.25h， 以90%的产率得到2-[(2,4-Dichlorophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
  参考文献：
  名称：

  Diammonium Hydrogen Phosphate as a Neutral and Efficient Catalyst for Synthesis of 1,8‐Dioxo‐octahydroxanthene Derivatives in Aqueous Media

  摘要：

  A new and efficient method to synthesize a 3,3,6,6,9-aryl-l,8-dioxo-octa-hydroxanthene derivative using diammonium hydrogen phosphate as catalyst was performed in water at room temperature in a short periods.

  DOI：

  10.1080/00397910701196520

文献信息

• Diammonium Hydrogen Phosphate as a Neutral and Efficient Catalyst for Synthesis of 1,8‐Dioxo‐octahydroxanthene Derivatives in Aqueous Media
  作者：Fatemeh Darviche、Saeed Balalaie、Fatemeh Chadegani、Peyman Salehi

  DOI：10.1080/00397910701196520

  日期：2007.4.1

  A new and efficient method to synthesize a 3,3,6,6,9-aryl-l,8-dioxo-octa-hydroxanthene derivative using diammonium hydrogen phosphate as catalyst was performed in water at room temperature in a short periods.