3-([1,4,7]triazonan-1-yl)-propan-1-ol | 959679-17-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-([1,4,7]triazonan-1-yl)-propan-1-ol
• 英文别名: 3-(1,4,7-Triazonan-1-yl)propan-1-ol
• CAS: 959679-17-5
• 化学式: C₉H₂₁N₃O
• 分子量: 187.285
• InChiKey: WKTAYMDRQDBNSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  47.5
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  溴乙酸叔丁酯 、 3-([1,4,7]triazonan-1-yl)-propan-1-ol 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 9.0h， 以50%的产率得到
  参考文献：
  名称：

  Novel synthetic ligands for targeted PET imaging and radiotherapy of copper

  摘要：

  Novel ligands, NBEA, NBPA, NETA, NE3TA, and NE3TA-Bn, were synthesized and evaluated as potential chelators of copper radioisotopes for use in targeted positron emission tomography (PET) imaging or radiation therapy. The new ligands were radiolabeled with Cu-64, and in vitro stability of the radiolabeled complexes was assessed in rat serum. Serum stability results suggest that among the ligands tested, NETA, NE3TA, and NE3TA-Bn form stable complexes with Cu-64. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.052
• 作为产物：
  描述：

  1,8-bis(p-toluenesulfonyloxy)-3,6-bis(p-toluenesulfonyl)-3,6-diazaoctane 在 硫酸 、 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 144.0h， 生成 3-([1,4,7]triazonan-1-yl)-propan-1-ol
  参考文献：
  名称：

  单取代 1,4,7-三氮杂环壬烷的快速高效合成

  摘要：

  摘要 描述了用单个供体侧基取代的 1,4,7-三氮杂环壬烷 (tacn) 衍生物的方便合成。具有羟基烷基、氨基烷基或苄基的单取代 tacns 是通过廉价起始材料的有效环化，然后去甲苯基化合成的。

  DOI：

  10.1081/scc-120017190

文献信息

• A Short and Efficient Synthesis of Mono-substituted 1,4,7-Triazacyclononanes
  作者：Hyun-soon Chong、Martin W. Brechbiel

  DOI：10.1081/scc-120017190

  日期：2003.1.5

  Abstract A convenient synthesis of 1,4,7-Triazacyclononane (tacn) derivatives substituted with a single pendant donor group is described. Mono-substituted tacns with a hydroxylalkyl, an aminoalkyl, or a benzyl group are synthesized via efficient cyclization of inexpensive starting materials followed by detosylation.

  摘要 描述了用单个供体侧基取代的 1,4,7-三氮杂环壬烷 (tacn) 衍生物的方便合成。具有羟基烷基、氨基烷基或苄基的单取代 tacns 是通过廉价起始材料的有效环化，然后去甲苯基化合成的。
• Novel synthetic ligands for targeted PET imaging and radiotherapy of copper
  作者：Hyun-Soon Chong、Santosh Mhaske、Mai Lin、Sankar Bhuniya、Hyun A. Song、Martin W. Brechbiel、Xiankai Sun

  DOI：10.1016/j.bmcl.2007.09.052

  日期：2007.11

  Novel ligands, NBEA, NBPA, NETA, NE3TA, and NE3TA-Bn, were synthesized and evaluated as potential chelators of copper radioisotopes for use in targeted positron emission tomography (PET) imaging or radiation therapy. The new ligands were radiolabeled with Cu-64, and in vitro stability of the radiolabeled complexes was assessed in rat serum. Serum stability results suggest that among the ligands tested, NETA, NE3TA, and NE3TA-Bn form stable complexes with Cu-64. (C) 2007 Elsevier Ltd. All rights reserved.