3-(3-nitrophenyl)-1-chloropropane | 52273-76-4

• 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: 3-(3-nitrophenyl)-1-chloropropane
• 英文别名: 3-m-Nitrophenyl-propylchlorid；1-(3-Chloropropyl)-3-nitrobenzene
• CAS: 52273-76-4
• 化学式: C₉H₁₀ClNO₂
• 分子量: 199.637
• InChiKey: CSDABAHNOAFVGF-UHFFFAOYSA-N

物化性质

• 沸点：
  319.6±17.0 °C(Predicted)
• 密度：
  1.232±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3-nitrophenyl)-1-chloropropane 、 氰化钾 在 18-冠醚-6 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以75%的产率得到3-(3-nitrophenyl)-1-propionitrile
  参考文献：
  名称：

  Polyiodinated Triglyceride Analogs as Potential Computed Tomography Imaging Agents for the Liver

  摘要：

  A series of glyceryl 2-oleoyl 1,3-bis[omega-(3-amino-2,4,6-triiodophenyl]) alkanoates was synthesized, radioiodinated with iodine-125, emulsified, and evaluated for their ability to selectively localize in the liver for potential use as hepatographic agents in computed tomography. All seven analogs displayed rapid liver uptake wherein between 65 and 78% of the injected dose accumulated in the liver by 30 min. Liver values ranged from 46 to 93% 3 h after injection which corresponded to liver to blood ratios ranging from 21 to 450. Moreover, subsequent elimination of radioactivity from the liver was nearly linear with respect to alkyl chain length. Analogs with longer alkyl chain length were eliminated from the liver more rapidly than their shorter chain counterparts. Because of their biochemical similarities to naturally occurring triglycerides, these novel analogs may prove useful not only for high-resolution anatomic imaging of focal liver lesions, but also for evaluating a variety of diffuse diseases known to affect hepatic function and biochemistry.

  DOI：

  10.1021/jm00004a010
• 作为产物：
  描述：

  3-(3-硝基苯基)-1-丙醇 在 吡啶 、 氯化亚砜 作用下， 以 苯 为溶剂， 反应 1.0h， 以87%的产率得到3-(3-nitrophenyl)-1-chloropropane
  参考文献：
  名称：

  Polyiodinated Triglyceride Analogs as Potential Computed Tomography Imaging Agents for the Liver

  摘要：

  A series of glyceryl 2-oleoyl 1,3-bis[omega-(3-amino-2,4,6-triiodophenyl]) alkanoates was synthesized, radioiodinated with iodine-125, emulsified, and evaluated for their ability to selectively localize in the liver for potential use as hepatographic agents in computed tomography. All seven analogs displayed rapid liver uptake wherein between 65 and 78% of the injected dose accumulated in the liver by 30 min. Liver values ranged from 46 to 93% 3 h after injection which corresponded to liver to blood ratios ranging from 21 to 450. Moreover, subsequent elimination of radioactivity from the liver was nearly linear with respect to alkyl chain length. Analogs with longer alkyl chain length were eliminated from the liver more rapidly than their shorter chain counterparts. Because of their biochemical similarities to naturally occurring triglycerides, these novel analogs may prove useful not only for high-resolution anatomic imaging of focal liver lesions, but also for evaluating a variety of diffuse diseases known to affect hepatic function and biochemistry.

  DOI：

  10.1021/jm00004a010

文献信息

• ALKOXY- UND ALKYLTHIO-SUBSTITUIERTE ANILINOPYRIMIDINE
  申请人：Bayer CropScience AG

  公开号：EP2331512A1

  公开（公告）日：2011-06-15
• [DE] ALKOXY- UND ALKYLTHIO-SUBSTITUIERTE ANILINOPYRIMIDINE<br/>[EN] ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES<br/>[FR] ANILINOPYRIMIDINES À SUBSTITUTION ALCOXY ET ALKYLTHIO
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2010025833A1

  公开（公告）日：2010-03-11

  Alkoxy-und Alkylthio-substituierte Anilinopyrimidine der Formel (I) in welcher R1 bis R14, sowie E1, E2, E3, X und Y die in der Beschreibung angegebenen Bedeutungen haben, sowie agrochemisch wirksame Salze davon, deren Verwendung sowie Verfahren und Mittel zur Bekämpfung von pflanzenpathogenen Schadpilzen in und/oder auf Pflanzen oder in und/oder auf Saatgut von Pflanzen, Verfahren zur Herstellung solcher Mittel und behandeltes Saatgut sowie deren Verwendung zur Bekämpfung von pflanzenpathogenen Schadpilzen in der Land-, Garten- und Forstwirtschaft, im Materialschutz sowie im Bereich Haushalt und Hygiene. Die vorliegende Erfindung betrifft weiterhin ein Verfahren zur Herstellung von alkoxy-und alkylthio-substituierten Anilinopyrimidinen der Formel (I).
• Polyiodinated Triglyceride Analogs as Potential Computed Tomography Imaging Agents for the Liver
  作者：Jamey P. Weichert、Marc A. Longino、Douglas A. Bakan、Michael G. Spigarelli、Tso-sheng Chou、Susan W. Schwendner、Raymond E. Counsell

  DOI：10.1021/jm00004a010

  日期：1995.2

  A series of glyceryl 2-oleoyl 1,3-bis[omega-(3-amino-2,4,6-triiodophenyl]) alkanoates was synthesized, radioiodinated with iodine-125, emulsified, and evaluated for their ability to selectively localize in the liver for potential use as hepatographic agents in computed tomography. All seven analogs displayed rapid liver uptake wherein between 65 and 78% of the injected dose accumulated in the liver by 30 min. Liver values ranged from 46 to 93% 3 h after injection which corresponded to liver to blood ratios ranging from 21 to 450. Moreover, subsequent elimination of radioactivity from the liver was nearly linear with respect to alkyl chain length. Analogs with longer alkyl chain length were eliminated from the liver more rapidly than their shorter chain counterparts. Because of their biochemical similarities to naturally occurring triglycerides, these novel analogs may prove useful not only for high-resolution anatomic imaging of focal liver lesions, but also for evaluating a variety of diffuse diseases known to affect hepatic function and biochemistry.