1-[3-(4-吡啶基氧基)苯基]甲胺 | 685533-75-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-[3-(4-吡啶基氧基)苯基]甲胺
• 中文别名: 苯甲酸5-(乙酰氨基)-2-甲氧基-(9CI)
• 英文名称: 3-(4-pyridinyloxy)benzylamine
• 英文别名: 1-{3-[(Pyridin-4-yl)oxy]phenyl}methanamine；(3-pyridin-4-yloxyphenyl)methanamine
• CAS: 685533-75-9
• 化学式: C₁₂H₁₂N₂O
• 分子量: 200.24
• InChiKey: HEZVDGSFVTWEBA-UHFFFAOYSA-N

物化性质

• 沸点：
  345.6±27.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  48.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-nitrophenyl (5-(tert-butyl)isoxazol-3-yl)carbamate 、 1-[3-(4-吡啶基氧基)苯基]甲胺 以 二氯甲烷 为溶剂， 反应 4.0h， 以27.5%的产率得到1-(5-t-butyl-3-isoxazolyl)-3-[3-(4-pyridinyloxy)benzyl]urea
  参考文献：
  名称：

  [EN] METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS
  [FR] DERIVES DE METHYLENE UREE

  摘要：

  公开号：

  WO2004037789A3
• 作为产物：
  描述：

  3-(吡啶-4-氧基)苯甲腈 在 镍 氨 、 氢气 作用下， 以 甲醇 为溶剂， 50.0 ℃ 、500.01 kPa 条件下， 以96%的产率得到1-[3-(4-吡啶基氧基)苯基]甲胺
  参考文献：
  名称：

  [EN] METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS
  [FR] DERIVES DE METHYLENE UREE

  摘要：

  公开号：

  WO2004037789A3

文献信息

• Methylene urea derivative as RAF kinasse inhibitors
  申请人：Merck Patent GmbH

  公开号：EP2426122A1

  公开（公告）日：2012-03-07

  The present invention relates to methylene urea derivatives of formula I, the use of the compounds of formula I as inhibitors of raf-kinase, the use of the compounds of formula I for the manufacture of a pharmaceutical composition and a method of treatment, comprising administering said pharmaceutical composition to a patient.

  本发明涉及式 I 的亚甲基脲衍生物、式 I 化合物作为雷夫激酶抑制剂的用途、式 I 化合物用于制造药物组合物的用途以及治疗方法，包括将所述药物组合物施用给患者。
• METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS
  申请人：MERCK PATENT GmbH

  公开号：EP1562905A2

  公开（公告）日：2005-08-17
• Methylene urea derivatives
  申请人：Buchstaller Hans-Peter

  公开号：US20060199844A1

  公开（公告）日：2006-09-07

  The present invention relates to methylene urea derivatives of formula (I), the use of the compounds of formula (I) as inhibitors of raf-kinase, the use of the compounds of formula (I) for the manufacture of a pharmaceutical composition and a method of treatment, comprising administering said pharmaceutical composition to a patient.
• METHYLENE UREA DERIVATIVES
  申请人：Buchstaller Hans-Peter

  公开号：US20090298885A1

  公开（公告）日：2009-12-03

  The present invention relates to methylene urea derivatives of formula (I), the use of the compounds of formula (I) as inhibitors of raf-kinase, the use of the compounds of formula (I) for the manufacture of a pharmaceutical composition and a method of treatment, comprising administering said pharmaceutical composition to a patient.
• Methylene Urea Derivatives
  申请人：Merck Patent GmbH

  公开号：US20130158076A1

  公开（公告）日：2013-06-20

  The present invention relates to methylene urea derivatives of formula (I), the use of the compounds of formula (I) as inhibitors of raf-kinase, the use of the compounds of formula (I) for the manufacture of a pharmaceutical composition and a method of treatment, comprising administering said pharmaceutical composition to a patient.