1-(2,3-dimethoxy-benzyl)-5,6-dimethoxy-isoquinoline | 109937-92-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-(2,3-dimethoxy-benzyl)-5,6-dimethoxy-isoquinoline
• 英文别名: 1-(2,3-Dimethoxy-benzyl)-5,6-dimethoxy-isochinolin；1-(2,3-Dimethoxybenzyl)-5,6-dimethoxyisochinolin；1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxyisoquinoline
• CAS: 109937-92-0
• 化学式: C₂₀H₂₁NO₄
• 分子量: 339.391
• InChiKey: QUNSFGJCTPQXBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2,3-dimethoxy-benzyl)-5,6-dimethoxy-isoquinoline 在 selenium(IV) oxide 、 xylene 作用下， 生成 (5,6-dimethoxy-[1]isoquinolyl)-(2,3-dimethoxy-phenyl)-ketone
  参考文献：
  名称：

  Tsatsas, Annales Pharmaceutiques Francaises, 1952, vol. 10, p. 61,70

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-dimethoxynitrostyrene 在 盐酸 、 四氯乙烯 、 1,2,3,4-四氢萘 、 amalgamated zinc 、 钯 、 萘烷 、 三氯氧磷 作用下， 生成 1-(2,3-dimethoxy-benzyl)-5,6-dimethoxy-isoquinoline
  参考文献：
  名称：

  A Fabric Denuder for Sampling Semi-Volatile Species

  摘要：

  A new style of diffusion denuder has been evaluated specifically for sampling HNO3. A coated fabric is used as the denuder substrate, which can be loaded directly into a standard filter holder. This approach allows direct denuder sampling with no additional capital costs over filter sampling and simplifies the coating and extraction process.Potential denuder materials and coatings were evaluated in the laboratory to test the removal efficiency. NaCl coatings were used to assess more than 20 materials for HNO3 collection efficiency. Particle retention, which would cause a denuder to have a positive bias for gas concentration measurements, was evaluated by ambient air sampling using particulate sulfate as the reference aerosol. Particle retention varied from 0 to 15%, depending on the denuder material tested. The best performing material showed an average particle retention of less than 3%.Denuder efficiency of four fabric materials was tested under ambient conditions to determine removal efficiency. The fabric denuder method was compared with a long path-length Fourier transform infrared (FTIR) spectrometer, a tunable diode laser absorption spectrometer (TDLAS), and a denuder difference sampler to independently measure HNO3. HNO3 collection efficiency was typically 90% for the denuders, whether coated with NaCl or not. For 10-L/min sampling rates with the fabric denuder, the square of the correlation coefficient with the FTIR spectrometer was 0.73, compared to 0.24 with the TDLAS.

  DOI：

  10.1080/10473289.2000.10464134

文献信息

• Tsatsas, Annales Pharmaceutiques Francaises, 1952, vol. 10, p. 61,70
  作者：Tsatsas

  DOI：——

  日期：——
• DE936210
  申请人：——

  公开号：——

  公开（公告）日：——
• Comparison of Computer Simulations of Total Lung Deposition to Human Subject Data in Healthy Test Subjects
  作者：R.A. Segal、T.B. Martonen、C.S. Kim

  DOI：10.1080/10473289.2000.10464155

  日期：2000.7

  A mathematical model was used to predict the deposition fractions (DF) of PM within human lungs. Simulations using this computer model were previously validated with human subject data and were used as a control case. Human intersubject variation was accounted for by scaling the base lung morphology dimensions based on measured functional residual capacity (FRC) values. Simulations were performed for both controlled breathing (tidal volumes [V-tau] of 500 and 1000 mL, respiratory times [T] from 2 to 8 sec) and spontaneous breathing conditions. Particle sizes ranged from 1 to 5 mu m. The deposition predicted from the computer model compared favorably with the experimental data. Far example, when V-tau = 1000 mi, and T = 2 sec, the error was 1.5%. The errors were slightly higher for smaller tidal volumes. Because the computer model is deterministic (i.e., derived from first principles of physics), the model can be used to predict deposition fractions for a range of situations (i.e., for different ventilatory parameters and particle sizes) for which data are not available. Now that the model has been validated, it may be applied to risk assessment efforts to estimate the inhalation hazards of airborne pollutants.
• A Fabric Denuder for Sampling Semi-Volatile Species
  作者：Dennis R. Fitz、Nehzat Motallebi

  DOI：10.1080/10473289.2000.10464134

  日期：2000.6

  A new style of diffusion denuder has been evaluated specifically for sampling HNO3. A coated fabric is used as the denuder substrate, which can be loaded directly into a standard filter holder. This approach allows direct denuder sampling with no additional capital costs over filter sampling and simplifies the coating and extraction process.Potential denuder materials and coatings were evaluated in the laboratory to test the removal efficiency. NaCl coatings were used to assess more than 20 materials for HNO3 collection efficiency. Particle retention, which would cause a denuder to have a positive bias for gas concentration measurements, was evaluated by ambient air sampling using particulate sulfate as the reference aerosol. Particle retention varied from 0 to 15%, depending on the denuder material tested. The best performing material showed an average particle retention of less than 3%.Denuder efficiency of four fabric materials was tested under ambient conditions to determine removal efficiency. The fabric denuder method was compared with a long path-length Fourier transform infrared (FTIR) spectrometer, a tunable diode laser absorption spectrometer (TDLAS), and a denuder difference sampler to independently measure HNO3. HNO3 collection efficiency was typically 90% for the denuders, whether coated with NaCl or not. For 10-L/min sampling rates with the fabric denuder, the square of the correlation coefficient with the FTIR spectrometer was 0.73, compared to 0.24 with the TDLAS.