8-methoxy-3,4-methylenedioxyphenathrene | 35142-04-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 8-methoxy-3,4-methylenedioxyphenathrene
• 英文别名: 8-methoxy-phenanthro[3,4-d][1,3]dioxole；8-Methoxy-phenanthro[3,4-d][1,3]dioxol；8-methoxy-3,4-methylenedioxy-phenanthrene；1-Methoxy-5,6-methylendioxy-phenanthren；8-Methoxyphenanthro[3,4-d][1,3]dioxole；8-methoxynaphtho[2,1-g][1,3]benzodioxole
• CAS: 35142-04-2
• 化学式: C₁₆H₁₂O₃
• 分子量: 252.269
• InChiKey: WYZHCCJSWRPBPI-UHFFFAOYSA-N

物化性质

• 熔点：
  86-87 °C
• 沸点：
  440.7±14.0 °C(Predicted)
• 密度：
  1.308±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  8-甲氧基萘并[2,1-g][1,3]苯并二氧戊环-5-羧酸 在 copper(I) oxide 作用下， 以 喹啉 为溶剂， 反应 0.5h， 以0.194 g的产率得到8-methoxy-3,4-methylenedioxyphenathrene
  参考文献：
  名称：

  Carbon-13 NMR spectra of some phenanthrene derivatives fromAristolochia indica and their analogues

  摘要：

  Abstract13C NMR spectra of compounds related to aristolochic acid and aristololactam, the constituents of Aristolochia indica, have been studied to determine the chemical shifts and coupling constants of polysubstituted phenanthrenes. Selective 1H decoupling and long‐range couplings were utilized for the assignments. Substituent‐induced chemical shifts and also the effects on coupling constants could be deduced in some cases. Anion formation was found to be particularly helpful in the interpretation of the spectra of carboxylic compounds. Shift assignments of some structurally related compounds could also be made.

  DOI：

  10.1002/mrc.1270221202

文献信息

• Shirai; Oda, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1956, vol. 76, p. 1287
  作者：Shirai、Oda

  DOI：——

  日期：——
• Carbon-13 NMR spectra of some phenanthrene derivatives fromAristolochia indica and their analogues
  作者：Basudeb Achari、Soumitra Bandyopadhyay、Ajit K. Chakravarty、Satyesh C. Pakrashi

  DOI：10.1002/mrc.1270221202

  日期：1984.12

  Abstract13C NMR spectra of compounds related to aristolochic acid and aristololactam, the constituents of Aristolochia indica, have been studied to determine the chemical shifts and coupling constants of polysubstituted phenanthrenes. Selective 1H decoupling and long‐range couplings were utilized for the assignments. Substituent‐induced chemical shifts and also the effects on coupling constants could be deduced in some cases. Anion formation was found to be particularly helpful in the interpretation of the spectra of carboxylic compounds. Shift assignments of some structurally related compounds could also be made.