苯并[b]噻吩-2-羧酰胺，3-氯-N-[(1,2-二氢-6-甲氧基-2-氧代-3-喹啉基)甲基] -N-(苯甲基)-(9CI) | 685533-78-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 苯并[b]噻吩-2-羧酰胺，3-氯-N-[(1,2-二氢-6-甲氧基-2-氧代-3-喹啉基)甲基] -N-(苯甲基)-(9CI)
• 英文名称: 3-(3-pyridinyloxy)benzylamine
• 英文别名: 1-{3-[(Pyridin-3-yl)oxy]phenyl}methanamine；(3-pyridin-3-yloxyphenyl)methanamine
• CAS: 685533-78-2
• 化学式: C₁₂H₁₂N₂O
• 分子量: 200.24
• InChiKey: VYXXAQDHJHQUPN-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：

  苯并[b]噻吩-2-羧酰胺，3-氯-N-[(1,2-二氢-6-甲氧基-2-氧代-3-喹啉基)甲基] -N-(苯甲基)-(9CI) 、 4-氯-3-三氟甲基异氰酸苯酯 以 二氯甲烷 为溶剂， 以16%的产率得到1-(4-chloro-3-trifluoromethylphenyl)-3-[3-(3-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-(Pyridin-3-yloxy)benzonitrile 在 镍 氨 、 氢气 作用下， 以 甲醇 为溶剂， 50.0 ℃ 、480.01 kPa 条件下， 以97%的产率得到苯并[b]噻吩-2-羧酰胺，3-氯-N-[(1,2-二氢-6-甲氧基-2-氧代-3-喹啉基)甲基] -N-(苯甲基)-(9CI)
  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

• COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS
  申请人：Matsuzaki Yuichi

  公开号：US20110009454A1

  公开（公告）日：2011-01-13

  Disclosed is a composition for agricultural use, which is used for controlling or preventing plant diseases caused by plant pathogens. The composition for agricultural use contains a compound represented by formula (1), a salt thereof or a hydrate of the compound or the salt. (1) [In the formula, Z represents an oxygen atom, a sulfur atom or NR Z ; and E represents a furyl group, a thienyl group, a pyrrolyl group, a tetrazolyl group, a thiazolyl group, a pyrazolyl group, a phenyl group or the like.]

  本发明公开了一种用于农业用途的组合物，用于控制或预防由植物病原体引起的植物病害。该农业用组合物含有由式（1）表示的化合物，其盐或该化合物或盐的水合物。（1）[在该式中，Z代表氧原子、硫原子或NRZ；E代表呋喃基、噻吩基、吡咯基、四唑基、噻唑基、吡唑基、苯基或类似基团。]
• 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.