(2,3-dimethoxy-phenyl)-acetaldehyde-oxime | 110600-36-7

• 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: (2,3-dimethoxy-phenyl)-acetaldehyde-oxime
• 英文别名: (2,3-Dimethoxy-phenyl)-acetaldehyd-oxim；(NE)-N-[2-(2,3-dimethoxyphenyl)ethylidene]hydroxylamine
• CAS: 110600-36-7
• 化学式: C₁₀H₁₃NO₃
• 分子量: 195.218
• InChiKey: ZZRZFNRWMZBJJM-YRNVUSSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  51
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2,3-dimethoxy-phenyl)-acetaldehyde-oxime 在 硫酸 、 钯 、 溶剂黄146 、 甲苯 、 三氯氧磷 、 苯 作用下， 生成 (5,6-dimethoxy-3,4-dihydro-[1]isoquinolyl)-(3,4-dimethoxy-phenyl)-ketone
  参考文献：
  名称：

  1-（3,4-二甲氧基-苄基）-5,6-二甲氧基-异喹啉的合成

  摘要：

  合成了1-（3,4-二甲氧基-苄基）-5,6-二甲氧基-异喹啉; 人们发现，它是不相同的所呈现的基部由E. Schlittler和J.穆勒（熔点222-223°苦味酸盐，熔点233-234°）。

  DOI：

  10.1002/hlca.19490320114
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 、 palladium on activated charcoal 作用下， 生成 (2,3-dimethoxy-phenyl)-acetaldehyde-oxime
  参考文献：
  名称：

  1-（3,4-二甲氧基-苄基）-5,6-二甲氧基-异喹啉的合成

  摘要：

  合成了1-（3,4-二甲氧基-苄基）-5,6-二甲氧基-异喹啉; 人们发现，它是不相同的所呈现的基部由E. Schlittler和J.穆勒（熔点222-223°苦味酸盐，熔点233-234°）。

  DOI：

  10.1002/hlca.19490320114

文献信息

• 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.
• Coping styles and prison experience as predictors of psychological well‐being in male prisoners
  作者：Eleonora Gullone、Tessa Jones、Robert Cummins

  DOI：10.1080/13218710009524983

  日期：2000.11