1-(2,3-二甲氧基-苯基)-2-硝基乙醇 | 76048-88-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2,3-二甲氧基-苯基)-2-硝基乙醇
• 英文名称: 1-(2,3-dimethoxy-phenyl)-2-nitroethanol
• 英文别名: 1-(2,3-dimethoxyphenyl)-2-nitroethan-1-ol；(+/-)-2.3-Dimethoxy-1-(2-nitro-1-hydroxy-aethyl)-benzol；1-(2,3-Dimethoxy-phenyl)-2-nitro-aethanol；1-(2,3-Dimethoxyphenyl)-2-nitroethanol
• CAS: 76048-88-9
• 化学式: C₁₀H₁₃NO₅
• 分子量: 227.217
• InChiKey: CNVDFICZFBCUCO-UHFFFAOYSA-N

物化性质

• 沸点：
  391.3±42.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  84.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2,3-二甲氧基-苯基)-2-硝基乙醇 在 三乙基硅烷 、 三氟乙酸 作用下， 反应 5.0h， 生成 1,2-二甲氧基-3-(2-硝基乙基)苯 、 2,3-dimethoxynitrostyrene
  参考文献：
  名称：

  Preparation of β-phenylnitroethanes having electron-donating aryl substitution

  摘要：

  beta-Phenyl-beta-hydroxynitroethanes having activating aryl substituents are treated with triethylsilane/trifluoroacetic acid under solventless conditions to give the corresponding phenyinitroethanes. Substrates having no aryl substituents or substituents that are only mildly activating or deactivating do not result in appreciable conversion to the title compounds. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.07.098
• 作为产物：
  描述：

  硝基甲烷 、 2,3-二甲氧基苯甲醛 在 Cu(II)-schiff base complex supported on SiO₂-functionalized Fe₃O₄ magnetite nanocatalyst 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以84%的产率得到1-(2,3-二甲氧基-苯基)-2-硝基乙醇
  参考文献：
  名称：

  使用固定在磁铁矿纳米颗粒上的铜（II）-席夫碱络合物作为多相纳米催化剂，通过亨利反应合成硝基醛醇

  摘要：

  摘要 功能化 Fe 3 O 4上负载的 Cu(II)-Schiff 碱络合物获得磁性纳米粒子（MNPs@Salen-Cu(II)）作为一种新的多相纳米催化剂。通过振动样品磁强计 (VSM)、X 射线衍射 (XRD)、扫描电子显微镜 (SEM)、能量色散 X 射线 (EDX)、傅里叶变换红外光谱 (FT-IR) 和热重分析对纳米复合材料进行表征(TGA)。该催化剂用于亨利反应，以在绿色条件下完成硝基醛醇衍生物的一锅法合成。这种纳米催化剂可以很容易地使用外部磁铁从反应介质中分离出来，并且可以重复使用多次而不会损失其催化活性。此外，催化剂的无毒和产物的高收率是该方法的其他优点。

  DOI：

  10.1080/00958972.2021.1921748

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.
• 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.