N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1-benzofuran-7-amine | 1400637-94-6

• 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: N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1-benzofuran-7-amine
• CAS: 1400637-94-6
• 化学式: C₁₈H₁₉NO₃
• 分子量: 297.354
• InChiKey: RVKKFOUKZMCCGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  43.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1-benzofuran-7-amine 在 [¹⁸F]fluoride 、 potassium hydrogencarbonate 、 三乙胺 、 4,7,13,16,21,24-六氧-1,10-二氮双环[8.8.8]二十六烷 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Exploration of the structure–activity relationship of the diaryl anilide class of ligands for translocator protein—potential novel positron emitting tomography imaging agents

  摘要：

  A series of novel ligands based on the diaryl anilide (DAA) class of translocator protein (TSPO) ligands was synthesised and evaluated as potential positron emitting tomography (PET) ligands for imaging TPSO in vivo. Fluorine-18 labelling of the molecules was achieved using direct radiolabelling or synthon based labelling approaches. Several of the ligands prepared have promising profiles as potential TSPO PET imaging ligands and will be evaluated further as potential clinical imaging agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.093
• 作为产物：
  描述：

  2-methyl-7-nitrobenzofuran 在 sodium tetrahydroborate 、 10% Pd/C 、 氢气 作用下， 以 甲醇 为溶剂， 生成 N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1-benzofuran-7-amine
  参考文献：
  名称：

  Exploration of the structure–activity relationship of the diaryl anilide class of ligands for translocator protein—potential novel positron emitting tomography imaging agents

  摘要：

  A series of novel ligands based on the diaryl anilide (DAA) class of translocator protein (TSPO) ligands was synthesised and evaluated as potential positron emitting tomography (PET) ligands for imaging TPSO in vivo. Fluorine-18 labelling of the molecules was achieved using direct radiolabelling or synthon based labelling approaches. Several of the ligands prepared have promising profiles as potential TSPO PET imaging ligands and will be evaluated further as potential clinical imaging agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.093