2,4-dimethoxy-3-isopropylbenzoic acid | 167961-19-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4-dimethoxy-3-isopropylbenzoic acid
• 英文别名: 2,4-Dimethoxy-3-isopropyl-benzoic acid；2,4-dimethoxy-3-propan-2-ylbenzoic acid
• CAS: 167961-19-5
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: RJSQGVPATUYYJF-UHFFFAOYSA-N

物化性质

• 沸点：
  359.6±42.0 °C(predicted)
• 密度：
  1.121±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-dimethoxy-3-isopropylbenzoic acid 在 氯化亚砜 作用下， 以 乙醚 、 苯 为溶剂， 反应 2.75h， 生成 2,4-Dimethoxy-3-isopropyl-N,N-diethylbenzamide
  参考文献：
  名称：

  Syntheses, constitutions and properties of stentorin and isostentorin

  摘要：

  Stentorin and Isostentorin were synthesized from 2-isopropyl-1,3,6,8-tetrahydroxyanthrone by dimerization and chromatographic separation of the resulting regioisomers. The anthrone was prepared in four steps starting from easily available properly substituted benzene derivatives; the overall yield of the stentorins was 11%. The constitutions of stentorin and isostentorin could be unequivocally assigned from the H-1 NMR spectra of their potassium salts and were found to be in agreement with those derived recently by means of a rational synthesis. The spectroscopic, dissociation, and acid-base properties in ground and excited states as well as the chiroptical properties of the human serum albumin complexes were investigated and discussed comparing them with respective data of hypericin, fringelite D, and the natural Stenter pigment.

  DOI：

  10.1007/bf00807060
• 作为产物：
  描述：

  1,3-二甲氧基-2-(1-甲基乙基)苯 在 potassium permanganate 、 三氯氧磷 作用下， 以 丙酮 为溶剂， 反应 19.75h， 生成 2,4-dimethoxy-3-isopropylbenzoic acid
  参考文献：
  名称：

  Syntheses, constitutions and properties of stentorin and isostentorin

  摘要：

  Stentorin and Isostentorin were synthesized from 2-isopropyl-1,3,6,8-tetrahydroxyanthrone by dimerization and chromatographic separation of the resulting regioisomers. The anthrone was prepared in four steps starting from easily available properly substituted benzene derivatives; the overall yield of the stentorins was 11%. The constitutions of stentorin and isostentorin could be unequivocally assigned from the H-1 NMR spectra of their potassium salts and were found to be in agreement with those derived recently by means of a rational synthesis. The spectroscopic, dissociation, and acid-base properties in ground and excited states as well as the chiroptical properties of the human serum albumin complexes were investigated and discussed comparing them with respective data of hypericin, fringelite D, and the natural Stenter pigment.

  DOI：

  10.1007/bf00807060

文献信息

• A Facile Synthesis of Stentorin, the Photoreceptor of Stentor coeruleus
  作者：H Iio

  DOI：10.1016/00404-0399(50)11425-

  日期：1995.8.14

  Stentorin, a protozoan photoreceptor, was effectively synthesized via the Ullmann coupling reaction of 5-bromo-2-isopropyl-1,3,6,8-tetramethoxyanthraquinone which was prepared from 3-iso-propyl-2,4-dimethoxy-6-(3,5-dimethoxybenzyl)benzoic acid via intramolecular Friedel-Crafts reaction and regioselective bromination.
• Syntheses, constitutions and properties of stentorin and isostentorin
  作者：H. Falk、E. Mayr

  DOI：10.1007/bf00807060

  日期：1995.12

  Stentorin and Isostentorin were synthesized from 2-isopropyl-1,3,6,8-tetrahydroxyanthrone by dimerization and chromatographic separation of the resulting regioisomers. The anthrone was prepared in four steps starting from easily available properly substituted benzene derivatives; the overall yield of the stentorins was 11%. The constitutions of stentorin and isostentorin could be unequivocally assigned from the H-1 NMR spectra of their potassium salts and were found to be in agreement with those derived recently by means of a rational synthesis. The spectroscopic, dissociation, and acid-base properties in ground and excited states as well as the chiroptical properties of the human serum albumin complexes were investigated and discussed comparing them with respective data of hypericin, fringelite D, and the natural Stenter pigment.