2-chloromethyl-1,2-dihydroperimidine | 188744-73-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-chloromethyl-1,2-dihydroperimidine
• 英文别名: 2-(Chloromethyl)-2,3-dihydro-1H-perimidine
• CAS: 188744-73-2
• 化学式: C₁₂H₁₁ClN₂
• 分子量: 218.686
• InChiKey: VAIWGPWYFSQIRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-chloromethyl-1,2-dihydroperimidine 在 二异丁基氢化铝 、 potassium iodide 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 60.0h， 生成 N¹-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1-yl]-ethyl}-naphthalene-1,8-diamine
  参考文献：
  名称：

  Synthesis of [11C]RPR-72840A and its evaluation as a radioligand for the serotonin reuptake site in positron emission tomography

  摘要：

  RPR-72840A, an inhibitor of serotonin reuptake, was labelled with carbon-11. The synthesis of the nonradioactive precursor, which exhibited some unexpected chemistry, and its reaction with [C-11]phosgene affording [C-11]RPR-72840A are described. Biodistribution studies in rats and PET studies in baboons were conducted to evaluate [C-11]RPR-72840A as a tracer for PET imaging of the serotonin reuptake system. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(96)00256-8
• 作为产物：
  描述：

  氯乙醛 、 1,8-二氨基萘 以 乙醇 为溶剂， 反应 1.83h， 以95%的产率得到2-chloromethyl-1,2-dihydroperimidine
  参考文献：
  名称：

  Synthesis of [11C]RPR-72840A and its evaluation as a radioligand for the serotonin reuptake site in positron emission tomography

  摘要：

  RPR-72840A, an inhibitor of serotonin reuptake, was labelled with carbon-11. The synthesis of the nonradioactive precursor, which exhibited some unexpected chemistry, and its reaction with [C-11]phosgene affording [C-11]RPR-72840A are described. Biodistribution studies in rats and PET studies in baboons were conducted to evaluate [C-11]RPR-72840A as a tracer for PET imaging of the serotonin reuptake system. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(96)00256-8

文献信息

• Synthesis of [11C]RPR-72840A and its evaluation as a radioligand for the serotonin reuptake site in positron emission tomography
  作者：Dirk Roeda、Bertrand Tavitian、Christine Coulon、Frédérique David、Frédéric Dollé、Chantal Fuseau、Antoinette Jobert、Christian Crouzel

  DOI：10.1016/s0968-0896(96)00256-8

  日期：1997.2

  RPR-72840A, an inhibitor of serotonin reuptake, was labelled with carbon-11. The synthesis of the nonradioactive precursor, which exhibited some unexpected chemistry, and its reaction with [C-11]phosgene affording [C-11]RPR-72840A are described. Biodistribution studies in rats and PET studies in baboons were conducted to evaluate [C-11]RPR-72840A as a tracer for PET imaging of the serotonin reuptake system. (C) 1997, Elsevier Science Ltd.