dimethyl 6-isopropyl-3-methylcyclohex-2-enon-2-ylphosphonoacetate | 196618-46-9

• 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: dimethyl 6-isopropyl-3-methylcyclohex-2-enon-2-ylphosphonoacetate
• 英文别名: (2-Methyl-6-oxo-5-propan-2-ylcyclohexen-1-yl) 2-dimethoxyphosphorylacetate
• CAS: 196618-46-9
• 化学式: C₁₄H₂₃O₆P
• 分子量: 318.307
• InChiKey: UNYGSJNDCBIKGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dimethyl 6-isopropyl-3-methylcyclohex-2-enon-2-ylphosphonoacetate 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以76%的产率得到4-Isopropyl-7-methyl-5,6-dihydro-4H-benzofuran-2-one
  参考文献：
  名称：

  Synthesis of Annulated 4-Alkylidenebutenolides from Natural Occurring Diosphenols

  摘要：

  Diosphenol(3) and Psi-diosphenol (4), two constituents of the essential oil from the buchu plant, Borosma betulina (Bartl.), were utilized for the synthesis of the anulated 4-ylidenebutenolides (5) and (6).

  DOI：

  10.1080/00397919708005635
• 作为产物：
  描述：

  2-羟基-6-(异丙基)-3-甲基环己-2-烯-1-酮 以 甲苯 为溶剂， 反应 24.0h， 生成 dimethyl 6-isopropyl-3-methylcyclohex-2-enon-2-ylphosphonoacetate
  参考文献：
  名称：

  Synthesis of Annulated 4-Alkylidenebutenolides from Natural Occurring Diosphenols

  摘要：

  Diosphenol(3) and Psi-diosphenol (4), two constituents of the essential oil from the buchu plant, Borosma betulina (Bartl.), were utilized for the synthesis of the anulated 4-ylidenebutenolides (5) and (6).

  DOI：

  10.1080/00397919708005635

文献信息

• Synthesis of Annulated 4-Alkylidenebutenolides from Natural Occurring Diosphenols
  作者：David F. Schneider、Murray S. Viljoen

  DOI：10.1080/00397919708005635

  日期：1997.10

  Diosphenol(3) and Psi-diosphenol (4), two constituents of the essential oil from the buchu plant, Borosma betulina (Bartl.), were utilized for the synthesis of the anulated 4-ylidenebutenolides (5) and (6).