5-<6-(2,3-dihydroxyphenyl)hexyl>-3-methyl-2-dihydrofuranone | 81464-94-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-<6-(2,3-dihydroxyphenyl)hexyl>-3-methyl-2-dihydrofuranone
• 英文别名: 5-[6-(2,3-Dihydroxyphenyl)hexyl]-3-methyloxolan-2-one
• CAS: 81464-94-0
• 化学式: C₁₇H₂₄O₄
• 分子量: 292.375
• InChiKey: QICKPTMIUFHENI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 15.0h， 以78%的产率得到5-<6-(2,3-dihydroxyphenyl)hexyl>-3-methyl-2-dihydrofuranone
  参考文献：
  名称：

  Double-head haptens. Synthesis of and experimentally induced contact sensitivity to substances containing two unrelated haptens, pyrocatechol and .alpha.-methylene-.gamma.-butyrolactone, in the same molecule

  摘要：

  A "double-head" hapten containing a pyrocatechol and an alpha-methylene-gamma-butyrolactone moiety (3) and "monofunctional haptens" with either one of these moieties (18 and 19) connected by a six-carbon chain have been synthesized, and their sensitizing capacity was tested on guinea pigs. In the "double-head" hapten, only the pyrocatechol end is "recognized". A possible interpretation of the biological results is offered.

  DOI：

  10.1021/jm00348a008