4-Chloro-2-fluorobenzylisocyanide | 730964-49-5

• 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: 4-Chloro-2-fluorobenzylisocyanide
• 英文别名: 4-chloro-2-fluoro-1-(isocyanomethyl)benzene
• CAS: 730964-49-5
• 化学式: C8H5ClFN
• mdl: MFCD04117514
• 分子量: 169.58
• InChiKey: GNDCANIJQCPNAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  4.4
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF
  申请人：Calad Stacie

  公开号：US20110230660A1

  公开（公告）日：2011-09-22

  The present invention relates to a method comprising the step of contacting a protected N,N-bis(2-X-ethyl)amine with a (2-fluorophenyl)acetonitrile in the presence of a water-soluble phase transfer reagent, concentrated aqueous base, and an immiscible organic solvent, and under such conditions to form a 4-(2-fluorophenyl)-4-piperidinecarbonitrile in at least a 70% yield, wherein X is a leaving group. The 4-(2-fluorophenyl)-4-piperidinecarbonitrile is useful in preparing spiroindolines, which can be used as precursors of compounds that are modulators of CCR2 receptor.