5-fluoro-2-(4-methoxyphenyl)nitrobenzene | 344780-32-1

• 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: 5-fluoro-2-(4-methoxyphenyl)nitrobenzene
• 英文别名: 4-fluoro-1-(4-methoxyphenyl)-2-nitrobenzene
• CAS: 344780-32-1
• 化学式: C₁₃H₁₀FNO₃
• 分子量: 247.226
• InChiKey: HETUSKRIZKGHJQ-UHFFFAOYSA-N

物化性质

• 沸点：
  359.9±32.0 °C(Predicted)
• 密度：
  1.269±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-fluoro-2-(4-methoxyphenyl)nitrobenzene 在 亚磷酸三乙酯 作用下， 生成 2-fluoro-7-methoxy-9H-carbazole
  参考文献：
  名称：

  Vanadium-Catalyzed Regioselective Oxidative Coupling of 2-Hydroxycarbazoles

  摘要：

  The first regioselective oxidative coupling of 2-hydroxycarbazoles is described. With a vanadium catalyst and oxygen as the terminal oxidant, dimers with an ortho-ortho' coupling pattern were obtained with high selectivity. Further oxidation led to ortho'-ortho' coupling to generate a tetramer, which provided insight that the atropisomerization barriers of the unsymmetrical biaryl bonds are much lower than expected.

  DOI：

  10.1021/ol503521b
• 作为产物：
  描述：

  2-溴-5-氟硝基苯 、 4-甲氧基苯硼酸 在 三苯基膦钯 双氧水 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 5-fluoro-2-(4-methoxyphenyl)nitrobenzene
  参考文献：
  名称：

  Novel substituted tricyclic compounds

  摘要：

  通式（I）的化合物在治疗和预防与β3相关的疾病，包括糖尿病、肥胖症和高脂血症方面具有用处，其中R1是氢、卤素或羟基；R2是C1-4烷基或苄基；R3是OR、卤素、三氟甲基、C1-8烷基、较低酰基、NR4R4'、硝基或氰基；R是氢、C1-8烷基、苄基或可选取代的较低酰基；R4和R4'各自独立地为氢、C1-4烷基、较低酰基、苄基或SO2R5；R5是C1-4烷基或苄基；W是氧、次级氮原子（NH）或硫；*代表不对称碳原子。

  公开号：

  US20030040538A1

文献信息

• NOVEL SUBSTITUTED TRICYCLIC COMPOUNDS
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：EP1238973A1

  公开（公告）日：2002-09-11

  Compounds of the general formula (I) are useful in the treatment and prevention of β3-related diseases including diabetes, obesity and hyperlipidemia wherein R1 is hydrogen, halogen, or hydroxyl; R2 is lower alkyl or benzyl; R3 is OR, halogen, trifluoromethyl, lower alkyl, lower acyl, NR4R4', nitro, or cyano; R is hydrogen, lower alkyl, benzyl group, or optionally substituted lower acyl; R4 and R4' are each independently hydrogen, lower alkyl, lower acyl, benzyl, or SO2R5; R5 is lower alkyl or benzyl; W is oxygen, a secondary nitrogen atom (NH), or sulfur; and * represents an asymmetric carbon atom.

  通式（I）化合物可用于治疗和预防与β3 有关的疾病，包括糖尿病、肥胖症和高脂血症 其中 R1 是氢、卤素或羟基；R2 是低级烷基或苄基；R3 是 OR、卤素、三氟甲基、低级烷基、低级酰基、NR4R4'、硝基或氰基；R 是氢、低级烷基、苄基或任选取代的低级酰基；R4 和 R4'各自独立地是氢、低级烷基、低级酰基、苄基或 SO2R5；R5 是低级烷基或苄基；W 是氧、仲氮原子 (NH) 或硫；以及 * 代表不对称碳原子。
• Vanadium-Catalyzed Regioselective Oxidative Coupling of 2-Hydroxycarbazoles
  作者：Lei Liu、Patrick J. Carroll、Marisa C. Kozlowski

  DOI：10.1021/ol503521b

  日期：2015.2.6

  The first regioselective oxidative coupling of 2-hydroxycarbazoles is described. With a vanadium catalyst and oxygen as the terminal oxidant, dimers with an ortho-ortho' coupling pattern were obtained with high selectivity. Further oxidation led to ortho'-ortho' coupling to generate a tetramer, which provided insight that the atropisomerization barriers of the unsymmetrical biaryl bonds are much lower than expected.
• Novel substituted tricyclic compounds
  申请人：——

  公开号：US20030040538A1

  公开（公告）日：2003-02-27

  Compounds of the general formula (I) are useful in the treatment and prevention of &bgr;3-related diseases including diabetes, obesity and hyperlipidemia wherein R 1 is hydrogen, halogen, or hydroxyl; R 2 is C 1-4 alkyl or benzyl; R 3 is OR, halogen, trifluoromethyl, C 1-8 alkyl, lower acyl, NR 4 R 4′ , nitro, or cyano; R is hydrogen, C 1-8 alkyl, benzyl group, or optionally substituted lower acyl; R 4 and R 4′ are each independently hydrogen, C 1-4 alkyl, lower acyl, benzyl, or SO 2 R 5 ; R 5 is C 1-4 alkyl or benzyl; W is oxygen, a secondary nitrogen atom (NH), or sulfur; and * represents an asymmetric carbon atom. 1

  通式（I）的化合物在治疗和预防与β3相关的疾病，包括糖尿病、肥胖症和高脂血症方面具有用处，其中R1是氢、卤素或羟基；R2是C1-4烷基或苄基；R3是OR、卤素、三氟甲基、C1-8烷基、较低酰基、NR4R4'、硝基或氰基；R是氢、C1-8烷基、苄基或可选取代的较低酰基；R4和R4'各自独立地为氢、C1-4烷基、较低酰基、苄基或SO2R5；R5是C1-4烷基或苄基；W是氧、次级氮原子（NH）或硫；*代表不对称碳原子。