3-{[2-(4-isothiocyanato-phenyl)-ethyl]-methyl-amino}-propan-1-ol | 953792-68-2

• 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: 3-{[2-(4-isothiocyanato-phenyl)-ethyl]-methyl-amino}-propan-1-ol
• 英文别名: 3-[2-(4-Isothiocyanatophenyl)ethyl-methylamino]propan-1-ol
• CAS: 953792-68-2
• 化学式: C₁₃H₁₈N₂OS
• 分子量: 250.365
• InChiKey: OMRNGASMSPHUKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-{[2-(4-isothiocyanato-phenyl)-ethyl]-methyl-amino}-propan-1-ol 、 甲基磺酰氯 在 N,N-二异丙基乙胺 作用下， 以 氯仿 为溶剂， 反应 13.0h， 生成 methanesulfonate 1-[2-(4-isothiocyanato-phenyl)-ethyl]-1-methyl-azetidinium
  参考文献：
  名称：

  WO2007/122488

  摘要：

  公开号：
• 作为产物：
  描述：

  3-{[2-(4-amino-phenyl)-ethyl]-methyl-amino}-propan-1-ol 、 硫光气 在 barium carbonate 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成 3-{[2-(4-isothiocyanato-phenyl)-ethyl]-methyl-amino}-propan-1-ol
  参考文献：
  名称：

  WO2007/122488

  摘要：

  公开号：

文献信息

• Radiofluorinated Compounds and their Preparation
  申请人：Arstad Erik

  公开号：US20090087379A1

  公开（公告）日：2009-04-02

  The present invention provides a process for [18F]-fluorination of biomolecules containing a primary amino group such as proteins and peptides and in particular of peptides. The invention further provides reagents for this process, in particular 18F-labelled prosthetic groups for use in the preparation as well as non-labelled intermediates useful in the preparation of the [18F]-labelled prosthetic groups. [18F]-labelled compounds useful as radiopharmaceuticals, specifically for use in Positron Emission Tomography (PET) are also provided.
• RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION
  申请人：ARSTAD ERIK

  公开号：US20120171117A1

  公开（公告）日：2012-07-05

  The present invention provides a process for [ 18 F]-fluorination of biomolecules containing a primary amino group such as proteins and peptides and in particular of peptides. The invention further provides reagents for this process, in particular 18 F-labelled prosthetic groups for use in the preparation as well as non-labelled intermediates useful in the preparation of the [ 18 F]-labelled prosthetic groups. [ 18 F]-labelled compounds useful as radiopharmaceuticals, specifically for use in Positron Emission Tomography (PET) are also provided.
• Radiofluorinated compounds and their preparation
  申请人：HAMMERSMITH IMANET LIMITED

  公开号：US20140127130A1

  公开（公告）日：2014-05-08

  The present invention provides a process for [ 18 F]-fluorination of biomolecules containing a primary amino group such as proteins and peptides and in particular of peptides. The invention further provides reagents for this process, in particular 18 F-labelled prosthetic groups for use in the preparation as well as non-labelled intermediates useful in the preparation of the [ 18 F]-labelled prosthetic groups. [ 18 F]-labelled compounds useful as radiopharmaceuticals, specifically for use in Positron Emission Tomography (PET) are also provided.
• US8148575B2
  申请人：——

  公开号：US8148575B2

  公开（公告）日：2012-04-03
• US8445721B2
  申请人：——

  公开号：US8445721B2

  公开（公告）日：2013-05-21