2-cyano-1,4,7-trimethyl-1,4,7-triazacyclononane | 891865-66-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-cyano-1,4,7-trimethyl-1,4,7-triazacyclononane
• 英文别名: 1,4,7-Trimethyl-1,4,7-triazonane-2-carbonitrile
• CAS: 891865-66-0
• 化学式: C₁₀H₂₀N₄
• 分子量: 196.296
• InChiKey: AJXHZIXDONSLAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  33.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-cyano-1,4,7-trimethyl-1,4,7-triazacyclononane 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 0.25h， 生成 2-(acetamidomethyl)-1,4,7-trimethyl-1,4,7-triazacyclononane
  参考文献：
  名称：

  Direct ring functionalisation of 1,4,7-trimethyl-1,4,7-triazacyclononane and its application in the preparation of functional [L2Mn2O3]-type complexes

  摘要：

  Treatment of 1,4,7-trimethyl-1,4,7-triazacyclononane (metacn) with N-bromosuccinimide (NBS) gave a bicyclic ammonium intermediate, which was ring-opened to 2-cyano-1,4,7-trimethyl-1,4,7-triazacyclononane by reaction with potassium cyanide. Reduction to the amine followed by reaction with anhydrides gave amides, which could subsequently be converted to dinuclear tris-mu-oxo manganese complexes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.03.134
• 作为产物：
  描述：

  1,4,7-三甲基-1,4,7-三氮杂环壬烷 在 N-溴代丁二酰亚胺(NBS) 、 水 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 2.0h， 生成 2-cyano-1,4,7-trimethyl-1,4,7-triazacyclononane
  参考文献：
  名称：

  Direct ring functionalisation of 1,4,7-trimethyl-1,4,7-triazacyclononane and its application in the preparation of functional [L2Mn2O3]-type complexes

  摘要：

  Treatment of 1,4,7-trimethyl-1,4,7-triazacyclononane (metacn) with N-bromosuccinimide (NBS) gave a bicyclic ammonium intermediate, which was ring-opened to 2-cyano-1,4,7-trimethyl-1,4,7-triazacyclononane by reaction with potassium cyanide. Reduction to the amine followed by reaction with anhydrides gave amides, which could subsequently be converted to dinuclear tris-mu-oxo manganese complexes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.03.134

文献信息

• SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS)

  公开号：US20140142298A1

  公开（公告）日：2014-05-22

  The present invention embodiments relate to a compound with formula (V′) The invention also relates in certain embodiments to the synthesis method for compound (V′) and its use for the preparation of 1,4,7-triazacyclononane (tacn) and N- and/or C-functionalized derivatives thereof, particularly compounds with formula (I) The invention also relates in certain embodiments to metallic complexes comprising a ligand with formula (I) and a metal and their use for imaging.

  本发明实施例涉及具有化学式（V′）的化合物。该发明还涉及某些实施例中化合物（V′）的合成方法，以及其用于制备1,4,7-三氮杂环壬烷（tacn）和其N-和/或C-官能化衍生物，特别是具有化学式（I）的化合物。该发明还涉及某些实施例中包括具有化学式（I）的配体和金属的金属配合物，以及它们用于成像的用途。
• SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C- FUNCTIONALIZED DERIVATIVES THEREOF
  申请人：UNIVERSITE DE BOURGOGNE

  公开号：US20160222018A1

  公开（公告）日：2016-08-04

  A compound with formula (V′) the synthesis method for compound (V′), and its use for the preparation of 1,4,7-triazacyclononane (tacn) and N- and/or C-functionalized derivatives thereof, particularly compounds with formula (I) Also, metallic complexes comprising a ligand with formula (I) and a metal and their use for imaging.

  一种化学式为(V')的化合物的合成方法，以及它用于制备1,4,7-三氮杂环壬烷（tacn）及其N-和/或C-功能化衍生物的用途，特别是化学式为(I)的化合物。此外，还包括含有化学式为(I)的配体和金属的金属络合物及其用于成像的用途。
• SYNTHESIS OF IMIDAZO(1,2-A)PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF
  申请人：Université de Bourgogne

  公开号：EP2922830B1

  公开（公告）日：2018-05-16
• US9981967B2
  申请人：——

  公开号：US9981967B2

  公开（公告）日：2018-05-29
• US9988388B2
  申请人：——

  公开号：US9988388B2

  公开（公告）日：2018-06-05