leptorumol | 21722-27-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: leptorumol
• 英文别名: 5,7-dihydroxy-6,8-dimethylchromen-4-one
• CAS: 21722-27-0
• 化学式: C₁₁H₁₀O₄
• 分子量: 206.198
• InChiKey: OWGYZWMBXRFUQP-UHFFFAOYSA-N

物化性质

• 熔点：
  254 °C(Solv: acetone (67-64-1))
• 沸点：
  417.3±45.0 °C(Predicted)
• 密度：
  1.407±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  leptorumol 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 丙酮 为溶剂， 以99%的产率得到5,7-dihydroxy-6,8-dimethylchroman-4-one
  参考文献：
  名称：

  Synthesis of Methylophiopogonanone A

  摘要：

  Ophiopogon Root (root of Ophiopogon japonicus Ker-Gawler, Liliaceae) is a crude drug used as expectorant, anti-cough and tonic in Kampo medicine (traditional Japanese medicine) as well as other traditional medicines of Asian countries. It contains characteristic homoisoflavonoids with methylated ring A. We synthesized methylophiopogonanone A (1), which is a candidate marker compound for identification test of Ophiopogon Root, from phloroglucinol in 9 steps with overall yield of 11.1%.

  DOI：

  10.3987/com-20-14231
• 作为产物：
  描述：

  1,3,5-trimethoxy-2,4-dimethylbenzene 在 aluminum (III) chloride 、 三氟化硼乙醚 、 sodium hydride 作用下， 以 mineral oil 、 苯 为溶剂， 反应 9.33h， 生成 leptorumol
  参考文献：
  名称：

  Synthesis of Methylophiopogonanone A

  摘要：

  Ophiopogon Root (root of Ophiopogon japonicus Ker-Gawler, Liliaceae) is a crude drug used as expectorant, anti-cough and tonic in Kampo medicine (traditional Japanese medicine) as well as other traditional medicines of Asian countries. It contains characteristic homoisoflavonoids with methylated ring A. We synthesized methylophiopogonanone A (1), which is a candidate marker compound for identification test of Ophiopogon Root, from phloroglucinol in 9 steps with overall yield of 11.1%.

  DOI：

  10.3987/com-20-14231