(3-bromo-4-hydroxy-5-methoxy-phenyl)-methylamino-acetonitrile | 857816-94-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: (3-bromo-4-hydroxy-5-methoxy-phenyl)-methylamino-acetonitrile
• 英文别名: (3-Brom-4-hydroxy-5-methoxy-phenyl)-methylamino-acetonitril；2-(3-Bromo-4-hydroxy-5-methoxyphenyl)-2-(methylamino)acetonitrile
• CAS: 857816-94-5
• 化学式: C₁₀H₁₁BrN₂O₂
• 分子量: 271.114
• InChiKey: YLDSUYJFCNWDPP-UHFFFAOYSA-N

物化性质

• 熔点：
  93-94 °C
• 沸点：
  368.2±42.0 °C(Predicted)
• 密度：
  1.503±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  65.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3-bromo-4-hydroxy-5-methoxy-phenyl)-methylamino-acetonitrile 、 alkaline earth salt of/the/ methylsulfuric acid 生成 5-溴香兰素
  参考文献：
  名称：

  Assessing the Relationship between Personal Particulate and Gaseous Exposures of Senior Citizens Living in Baltimore, MD

  摘要：

  We conducted a multi-pollutant exposure study in Baltimore, MDI in which 15 non-smoking older adult subjects (>64 years old) wore a multi-pollutant sampler for 12 days during the summer of 1998 and the winter of 1999. The sampler measured simultaneous 24-hr integrated personal exposures to PM2.5, PM10, SO42-, O-3, NO2, SO2, and exhaust-related VOCs.Results of this study showed that longitudinal associations between ambient PM2.5 concentrations and cofresponding personal exposures tended to be high in the summer (median Spearman's r = 0.74) and low in the winter (median Spearman's r = 0.25). Indoor ventilation was an important determinant of personal PM2.5 exposures and resulting personal-ambient associations. Associations between personal PM2.5 exposures and corresponding ambient concentrations were strongest for well-ventilated indoor environments and decreased with ventilation. This decrease was attributed to the increasing influence of indoor PM2.5 sources. Evidence for this was provided by SO42- measurements, which ran be thought of as a tracer for ambient PM2.5. For SO42-, personal-ambient associations were strong even in poorly ventilated indoor environments, suggesting that personal exposures to PM2.5 of ambient origin are strongly associated with corresponding ambient concentrations. The results also indicated that the contribution of indoor PM2.5 sources to personal PM2.5 exposures was lowest when individuals spent the majority of their time in well-ventilated indoor environments.Results also indicate that the potential for confounding by PM2.5 co-pollutants is limited, despite significant correlations among ambient pollutant concentrations. In contrast to ambient concentrations, PM2.5 exposures were not significantly correlated with personal exposures to PM2.5-10, PM2.5 of non-ambient origin, O-3, NO2, and SO2. Since a confounder must be associated with the exposure of interest, these results provide evidence that the effects observed in the PM2.5 epidemiologic studies are unlikely to be due to confounding by the PM2.5 co-pollutants measured in this study.

  DOI：

  10.1080/10473289.2000.10464165
• 作为产物：
  描述：

  氢氰酸 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 作用下， 生成 (3-bromo-4-hydroxy-5-methoxy-phenyl)-methylamino-acetonitrile
  参考文献：
  名称：

  Assessing the Relationship between Personal Particulate and Gaseous Exposures of Senior Citizens Living in Baltimore, MD

  摘要：

  We conducted a multi-pollutant exposure study in Baltimore, MDI in which 15 non-smoking older adult subjects (>64 years old) wore a multi-pollutant sampler for 12 days during the summer of 1998 and the winter of 1999. The sampler measured simultaneous 24-hr integrated personal exposures to PM2.5, PM10, SO42-, O-3, NO2, SO2, and exhaust-related VOCs.Results of this study showed that longitudinal associations between ambient PM2.5 concentrations and cofresponding personal exposures tended to be high in the summer (median Spearman's r = 0.74) and low in the winter (median Spearman's r = 0.25). Indoor ventilation was an important determinant of personal PM2.5 exposures and resulting personal-ambient associations. Associations between personal PM2.5 exposures and corresponding ambient concentrations were strongest for well-ventilated indoor environments and decreased with ventilation. This decrease was attributed to the increasing influence of indoor PM2.5 sources. Evidence for this was provided by SO42- measurements, which ran be thought of as a tracer for ambient PM2.5. For SO42-, personal-ambient associations were strong even in poorly ventilated indoor environments, suggesting that personal exposures to PM2.5 of ambient origin are strongly associated with corresponding ambient concentrations. The results also indicated that the contribution of indoor PM2.5 sources to personal PM2.5 exposures was lowest when individuals spent the majority of their time in well-ventilated indoor environments.Results also indicate that the potential for confounding by PM2.5 co-pollutants is limited, despite significant correlations among ambient pollutant concentrations. In contrast to ambient concentrations, PM2.5 exposures were not significantly correlated with personal exposures to PM2.5-10, PM2.5 of non-ambient origin, O-3, NO2, and SO2. Since a confounder must be associated with the exposure of interest, these results provide evidence that the effects observed in the PM2.5 epidemiologic studies are unlikely to be due to confounding by the PM2.5 co-pollutants measured in this study.

  DOI：

  10.1080/10473289.2000.10464165

文献信息

• Assessing the Relationship between Personal Particulate and Gaseous Exposures of Senior Citizens Living in Baltimore, MD
  作者：Jeremy A. Sarnat、Petros Koutrakis、Helen H. Suh

  DOI：10.1080/10473289.2000.10464165

  日期：2000.7

  We conducted a multi-pollutant exposure study in Baltimore, MDI in which 15 non-smoking older adult subjects (>64 years old) wore a multi-pollutant sampler for 12 days during the summer of 1998 and the winter of 1999. The sampler measured simultaneous 24-hr integrated personal exposures to PM2.5, PM10, SO42-, O-3, NO2, SO2, and exhaust-related VOCs.Results of this study showed that longitudinal associations between ambient PM2.5 concentrations and cofresponding personal exposures tended to be high in the summer (median Spearman's r = 0.74) and low in the winter (median Spearman's r = 0.25). Indoor ventilation was an important determinant of personal PM2.5 exposures and resulting personal-ambient associations. Associations between personal PM2.5 exposures and corresponding ambient concentrations were strongest for well-ventilated indoor environments and decreased with ventilation. This decrease was attributed to the increasing influence of indoor PM2.5 sources. Evidence for this was provided by SO42- measurements, which ran be thought of as a tracer for ambient PM2.5. For SO42-, personal-ambient associations were strong even in poorly ventilated indoor environments, suggesting that personal exposures to PM2.5 of ambient origin are strongly associated with corresponding ambient concentrations. The results also indicated that the contribution of indoor PM2.5 sources to personal PM2.5 exposures was lowest when individuals spent the majority of their time in well-ventilated indoor environments.Results also indicate that the potential for confounding by PM2.5 co-pollutants is limited, despite significant correlations among ambient pollutant concentrations. In contrast to ambient concentrations, PM2.5 exposures were not significantly correlated with personal exposures to PM2.5-10, PM2.5 of non-ambient origin, O-3, NO2, and SO2. Since a confounder must be associated with the exposure of interest, these results provide evidence that the effects observed in the PM2.5 epidemiologic studies are unlikely to be due to confounding by the PM2.5 co-pollutants measured in this study.