2-(Furan-3-ylmethyl)-1-methyl-3-oxocyclohexane-1-carboxylic acid | 188200-27-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-(Furan-3-ylmethyl)-1-methyl-3-oxocyclohexane-1-carboxylic acid
• CAS: 188200-27-3
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: OTORPCTXQNIZIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  67.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(Furan-3-ylmethyl)-1-methyl-3-oxocyclohexane-1-carboxylic acid 在 三氟乙酸酐 作用下， 以 三氟乙酸 为溶剂， 生成 trans-4,4a,6,7,8,8a-hexahydro-8a-methylnaphtho<2,3-b>furan-5,9(5H,9H)-dione 、
  参考文献：
  名称：

  Synthetic studies towards furosesquiterpenes: Construction of linearly-fused trans- and cis-furo[3,2-b]-and furo[2,3-b] decalins

  摘要：

  Linearly fused furo[2.3-b]- and furo[3,2-b] decalin systems with cis trans ring junctions are present in several furosesquiterpenes obtained from marine sponges. A short and efficient synthesis of this ring system is described starting from Hageman's ester (1). The method has been extended for the synthesis of compound 8 and 14 via the diketones 5,6 and 12 respectively. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00053-7
• 作为产物：
  描述：

  在 六甲基磷酰三胺 、 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 反应 113.0h， 生成 2-(Furan-3-ylmethyl)-1-methyl-3-oxocyclohexane-1-carboxylic acid
  参考文献：
  名称：

  Synthetic studies towards furosesquiterpenes: Construction of linearly-fused trans- and cis-furo[3,2-b]-and furo[2,3-b] decalins

  摘要：

  Linearly fused furo[2.3-b]- and furo[3,2-b] decalin systems with cis trans ring junctions are present in several furosesquiterpenes obtained from marine sponges. A short and efficient synthesis of this ring system is described starting from Hageman's ester (1). The method has been extended for the synthesis of compound 8 and 14 via the diketones 5,6 and 12 respectively. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00053-7