7-(2,3-Dihydroxy-phenyl)-heptanal | 81464-90-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 7-(2,3-Dihydroxy-phenyl)-heptanal
• 英文别名: 7-(2,3-Dihydroxyphenyl)heptanal
• CAS: 81464-90-6
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: STNOAKOQUZLMBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(溴甲基)丙烯酸甲酯 、 7-(2,3-Dihydroxy-phenyl)-heptanal 在 锌 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 5-<6-(2,3-dihydroxyphenyl)hexyl>-3-methylene-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
• 作为产物：
  描述：

  <2,3-bis(benzyloxy)phenyl>-7,7-(ethylenedioxy)-1-heptene 在 palladium on activated charcoal 氢气 、 对甲苯磺酸 作用下， 以 乙醇 、 乙酸乙酯 、 丙酮 为溶剂， 25.0 ℃ 、344.73 kPa 条件下， 反应 17.0h， 生成 7-(2,3-Dihydroxy-phenyl)-heptanal
  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