N,N′,N″-trimethyl-1,4,7-triazanonane | 25598-89-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N′,N″-trimethyl-1,4,7-triazanonane
• 英文别名: 1,1,1-tris-(methylaminomethyl)ethane；tris-1,1,1-(methylaminomethyl)ethane；1,1,1-tris(methylaminomethyl)ethane；1,1,1-Tri(methylaminomethyl)ethane；tris(methylaminomethyl)ethane；Me3-tame；N-methyl-2,2-bis(N-methylaminomethyl)propylamine；N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine
• CAS: 25598-89-4
• 化学式: C₈H₂₁N₃
• 分子量: 159.275
• InChiKey: QZRJQNOLQGSLHB-UHFFFAOYSA-N

物化性质

• 沸点：
  258.2±8.0 °C(Predicted)
• 密度：
  0.851±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N′,N″-trimethyl-1,4,7-triazanonane 在 正丁基锂 作用下， 以 正己烷 、 正戊烷 为溶剂， 反应 0.5h， 以67%的产率得到
  参考文献：
  名称：

  Metallation of multifunctional secondary amines: the structural characterisation of the tripodal lithium amides {H3CC[CH2N(Li)R]3}3

  摘要：

  A series of trifunctional amines of the type H3CC(CH2NHR)3 [R = CH32, C2H5 3, CH(CH3),4, SiH(CH3),5 or Si(CH3)3 6] has been prepared and lithiated with n-butyllithium in hydrocarbon solvents, The tripodal lithium amides were found to be dimeric both in solution and in the solid state. Single-crystal X-ray structure analyses of {H3CC[CH2N(Li)CH(CH3)2]3}2 9 and {H3CC[CH2N(Li)Si(CH3)2]3}2 11 have established the central Li6N6 core in the molecular species. The geometrical requirements of the Li-N array cause a considerable distortion of the hydrocarbon skeleton which links the nitrogen centres.

  DOI：

  10.1039/dt9930000489
• 作为产物：
  描述：

  2-(氨甲基)-2-甲基-1,3-丙二胺 在 lithium aluminium tetrahydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 35.0h， 生成 N,N′,N″-trimethyl-1,4,7-triazanonane
  参考文献：
  名称：

  Metallation of multifunctional secondary amines: the structural characterisation of the tripodal lithium amides {H3CC[CH2N(Li)R]3}3

  摘要：

  A series of trifunctional amines of the type H3CC(CH2NHR)3 [R = CH32, C2H5 3, CH(CH3),4, SiH(CH3),5 or Si(CH3)3 6] has been prepared and lithiated with n-butyllithium in hydrocarbon solvents, The tripodal lithium amides were found to be dimeric both in solution and in the solid state. Single-crystal X-ray structure analyses of {H3CC[CH2N(Li)CH(CH3)2]3}2 9 and {H3CC[CH2N(Li)Si(CH3)2]3}2 11 have established the central Li6N6 core in the molecular species. The geometrical requirements of the Li-N array cause a considerable distortion of the hydrocarbon skeleton which links the nitrogen centres.

  DOI：

  10.1039/dt9930000489

文献信息

• Steric effects in coordination of 1,1,1-tris(dimethylaminomethyl)ethane and of 1,1,1-tris(monomethylaminomethyl)ethane—II. Zinc iodide and cadmium iodide complexes
  作者：Walter J. Kasowski、John C. Bailar

  DOI：10.1016/s0277-5387(00)83481-6

  日期：1994.7

  The coordination characteristics of the ligands 1,1,1-tris(monomethylaminomethyl)ethane (TSN) and 1,1,1-tris(dimethylaminomethyl)ethane (TTN) have been investigated by the preparation and characterization of their zinc iodide and cadmium iodide complexes. The structures of the complexes were established from 1H nuclear magnetic resonance (NMR) spectroscopy, IR spectroscopy and complementary physical-chemical

  通过碘化锌和碘化镉的制备和表征研究了配体1,1,1-三（单甲基氨基甲基）乙烷（TSN）和1,1,1-三（二甲基氨基甲基）乙烷（TTN）的配位特征复合体。配合物的结构由1 H核磁共振（NMR）光谱，IR光谱和互补的物理化学研究确定。碘化锌配合物TSNZnI 2和TTNZnI 2它们的氯和溴类似物是同构的，这表明卤素基团的大小对立体化学没有影响。所有这些锌络合物中的配体都是二齿的。这些络合物中TSN配体的结合和自由“分支”在NMR时间尺度上快速交换，而TTN配体的结合和游离“分支”则没有。相比之下，碘化镉形成离子络合物[TSNCdI] [CdI 3 ]和共价络合物TTNCdI 2，它们在立体化学上与LZnX 2络合物不同。在两种镉络合物中，由于较大的镉尺寸和这些三脚架系统围绕C 3向外变形的能力的结合，配体是三齿的配体轴，因此减少了相邻供体中心之间的空间相互作用。因此，阳离子[TSNCdI] +和中性络合物TTNCdI
• Nitrogen-Containing Macrocyclic Conjugates As Radiopharmaceuticals
  申请人：Donnelly Paul Stephen

  公开号：US20110293517A1

  公开（公告）日：2011-12-01

  The present invention relates to compounds that are useful as metal ligands and which either contain a molecular recognition moiety or can be bound to a molecular recognition moiety and methods of making these compounds. Once the compounds that contain a molecular recognition moiety are coordinated with a suitable metallic radionuclide, the coordinated compounds are useful as radiopharmaceuticals in the areas of radiotherapy and diagnostic imaging. The invention therefore also relates to methods of diagnosis and therapy utilising the radiolabelled compounds of the invention.

  本发明涉及用作金属配体的化合物，其中包含分子识别基团或可以结合到分子识别基团上，并且制备这些化合物的方法。一旦包含分子识别基团的化合物与适当的金属放射性核素配位，这些配位化合物在放射治疗和诊断成像领域中有用作放射性药物的作用。因此，本发明还涉及利用本发明的放射性标记化合物进行诊断和治疗的方法。
• CONTRAST AGENTS
  申请人：Wynn Duncan

  公开号：US20090136425A1

  公开（公告）日：2009-05-28

  The present invention relates to a class of compounds and to diagnostic compositions containing such compounds where the compounds are iodine containing compounds. More specifically the iodine containing compounds are chemical compounds containing an aliphatic central moiety containing urea or urethane functions allowing for the arrangement of three iodinated phenyl groups bound thereto. The invention also relates to the use of such diagnostic compositions as contrast agents in diagnostic imaging and in particular in X-ray imaging and to contrast media containing such compounds.

  本发明涉及一类化合物和含有这些化合物的诊断组合物，其中这些化合物是含有碘的化合物。更具体地，这些含碘化合物是化学化合物，包含一个脂肪族中心基团，其中含有尿素或脲基功能，允许将三个碘化苯基团与其结合。本发明还涉及将这样的诊断组合物用作诊断成像的造影剂，特别是用于X射线成像，并涉及含有这些化合物的造影介质。
• Modifiable polyunsaturated polymers and processes for their preparation
  申请人：Parthiban Anbanandam

  公开号：US20060189774A1

  公开（公告）日：2006-08-24

  The present invention relates to modifiable linear polyunsaturated polymers and processes for preparing the same comprising reacting solely at least one bifunctional nucleophilic compound with at least one α-functional unsaturated monomer. The at least one bifunctional nucleophilic compound of the invention comprises two nucleophiles independently selected from the group consisting of C, N, O, S and Se. The at least one α-functional unsaturated monomer of the invention comprises two leaving groups L 1 and L 2 , wherein at least one of the leaving groups L 1 and L 2 of the at least one α-functional unsaturated monomer is part of the nonaromatic unsaturated structure C═C—C α -L. The double bond of said α-functional unsaturated monomer is maintained in the polyunsaturated polymer.

  本发明涉及可改性线性多不饱和聚合物以及制备该聚合物的工艺，包括仅使至少一种双官能团亲核化合物与至少一种α官能团不饱和单体反应。本发明的至少一种双官能团亲核化合物包括两个独立选自 C、N、O、S 和 Se 组的亲核物。本发明的至少一种 α-官能团不饱和单体包括两个离去基团 L 1 和 L 2 其中至少一个离去基团 L 1 和 L 2 的至少一个离去基团 L 1 和 L 2 是非芳香族不饱和结构 C═C-C α -L.所述 α-官能团不饱和单体的双键保留在多不饱和聚合物中。
• Volcko, E. J.; Verkade, J. G., Phosphorus and Sulfur and the Related Elements, 1984, vol. 21, p. 111 - 118
  作者：Volcko, E. J.、Verkade, J. G.

  DOI：——

  日期：——