1,4,7-三乙基二亚乙基三胺 | 105-93-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1,4,7-三乙基二亚乙基三胺
• 英文名称: N,N',N''-triethyldiethylenetriamine
• 英文别名: N,N',N''-Triethyl-3-aza-1,5-pentanediamine；N,N',N''-triethyl diethylenetriamine；1,4,7-triethyl-1,4,7-triazaheptane；1,4,7-triethyldiethylenetriamine；6-ethyl-3,6,9-triazaundecane；ethyl-bis-(2-ethylamino-ethyl)-amine；1,2-Ethanediamine, N,N'-diethyl-N-[2-(ethylamino)ethyl]-；N,N'-diethyl-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
• CAS: 105-93-1
• 化学式: C₁₀H₂₅N₃
• mdl: MFCD00015107
• 分子量: 187.329
• InChiKey: ICDOTLXZHXEZNU-UHFFFAOYSA-N

物化性质

• 沸点：
  66-67°C
• 密度：
  0.857±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.3
• 氢给体数：
  2
• 氢受体数：
  3

ADMET

毒理性

• 副作用

Dermatotoxin - 皮肤烧伤。

Dermatotoxin - Skin burns.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 海关编码：
  2921290000

反应信息

• 作为反应物：
  描述：

  1,4,7-三乙基二亚乙基三胺 在 lithium aluminium tetrahydride 、 sodium carbonate 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 甲苯 、 乙腈 为溶剂， 反应 86.0h， 生成 14-<(allyloxy)methyl>-4,7,10,19-tetraethyl-4,7,10,19-tetraaza-1,13,16-trioxacycloheneicosane
  参考文献：
  名称：

  A new building block method to synthesize symmetrical and asymmetrical per-N-alkyl-substituted polyaza-crown compounds

  摘要：

  DOI：

  10.1021/jo00278a016
• 作为产物：
  描述：

  N-乙基二乙醇胺 在 氯化亚砜 作用下， 生成 1,4,7-三乙基二亚乙基三胺
  参考文献：
  名称：

  Gelbard,G.; Rumpf,P., Bulletin de la Societe Chimique de France, 1969, p. 1161 - 1170

  摘要：

  DOI：

文献信息

• Compositions and methods for separating heterocyclic aromatic amine bases, nucleosides, nucleotides, and nucleotide sequences
  申请人：IBC Advanced Technologies, Inc.

  公开号：US20030050458A1

  公开（公告）日：2003-03-13

  The compositions of the present invention comprise one or more palladium bound ligands that are covalently bonded to inorganic or organic solid supports. These palladium bound ligands bonded to solid supports can be used for single heterocyclic amine base separation, or can be used to separate nucleotide chain containing specific sequences from other nucleotides or nucleotide chains. In one aspect of the invention, each ligand present is individually complexed to a single Pd(II) ion. If there are from 2 to 4 ligands present in the composition, then each ligand present must be separated from the other ligands by at least 3 atoms, preferably from 3 to 20 carbon atoms or equivalent spacing.

  本发明的组合物包括一个或多个与无机或有机固体支撑物共价结合的钯配体。这些与固体支撑物结合的钯配体可用于单一杂环胺基分离，或者可用于将包含特定序列的核苷酸链与其他核苷酸或核苷酸链分离。在本发明的一个方面，每个存在的配体都与单个Pd(II)离子形成络合物。如果组合物中存在2到4个配体，则每个存在的配体必须与其他配体至少相隔3个原子，最好是在3到20个碳原子或等效间距之间。
• Several Novel N-Donor Tridentate Ligands Formed in Chemical Studies of New <i>fac</i>-Re(CO)₃ Complexes Relevant to <i>fac</i>-^99mTc(CO)₃ Radiopharmaceuticals: Attack of a Terminal Amine on Coordinated Acetonitrile
  作者：Theshini Perera、Patricia A. Marzilli、Frank R. Fronczek、Luigi G. Marzilli

  DOI：10.1021/ic901705x

  日期：2010.3.1

  To evaluate syntheses of fac-[Re(CO)3L]+ complexes in organic solvents, we treated fac-[Re(CO)3(CH3CN)3]PF6/BF4 in acetonitrile with triamine ligands (L). When L had two primary or two tertiary terminal amine groups, the expected fac-[Re(CO)3L]+ complexes formed. In contrast, N,N-dimethyldiethylenetriamine (N,N-Me2dien) formed an unusual compound, fac-[Re(CO)3(DAE)]BF4 DAE = (Z)-N′-(2-(2-(dimethy

  为了评估fac -[Re(CO) 3 L] +复合物在有机溶剂中的合成，我们用三胺配体 (L) 在乙腈中处理fac -[Re(CO) 3 (CH 3 CN) 3 ]PF 6 /BF 4 . 当 L 具有两个伯或两个叔端胺基团时，预期的fac -[Re(CO) 3 L] +复合物形成。相比之下，N,N -二甲基二亚乙基三胺 ( N,N -Me 2 dien) 形成了一种不寻常的化合物，fac -[Re(CO) 3 (DAE)]BF 4DAE = ( Z ) -N '-(2-(2-(二甲氨基)乙氨基)乙基)乙亚胺=(Me 2 NCH 2 CH 2 )NH(CH 2 CH 2 N=C(NH 2 )Me)}。DAE 是通过将乙腈添加到N,N -Me 2二烯末端伯胺中，将这个 sp 3氮转化为 sp 2氮而形成的，该 sp 2氮与原始乙腈 sp 碳具有双键。与 Re 绑定的三个 N 源自N,N -Me
• Mannich Reaction as a Key Strategy for the Synthesis of Benzoazacrown Ethers and Benzocryptands
  作者：Victor N. Pastushok、Jerald S. Bradshaw、Andrei V. Bordunov、Reed M. Izatt

  DOI：10.1021/jo9607931

  日期：1996.1.1

  A convenient method for the synthesis of mono- and polycyclic azacrown macrocycles containing aromatic fragments using the Mannich condensation of phenols and secondary diamines has been studied. This new approach allowed the synthesis of bisphenols connected by oligoazaoxaalkane units in good yields without the need to protect the phenolic OH groups. These bisphenols (13-16) were alkylated with ditosylates

  研究了使用苯酚和仲二胺的曼尼希缩合法合成含有芳族片段的单环和多环氮杂皇冠大环的简便方法。这种新方法允许以低收率合成通过低聚氮杂氧杂烷烃单元连接的双酚，而无需保护酚羟基。将这些双酚（13-16）与聚乙二醇的二甲苯磺酸酯烷基化，得到苯并氮杂ac烯醚25-30。中间双酚13-15也用三种双（甲氧基甲基）取代的二胺处理，形成了具有内部酚官能团的苯并氮杂ac10-12。通过曼尼希氨基甲基化工艺合成的含苯酚的单（11）和双环（3，n = 1）化合物用作构建双（32）和三环（33）配体的基础。
• Three new dinuclear copper(<scp>ii</scp>) complexes with [Cu(μ_1,3-N₃)₂Cu]²⁺and [Cu(μ_1,1-N₃)₂Cu]²⁺asymmetrical cores: syntheses, structures and magnetic behaviour
  作者：Albert Escuer、Mercè Font-Bardía、Salah S. Massoud、Franz A. Mautner、Evaristo Peñalba、Xavier Solans、Ramon Vicente

  DOI：10.1039/b314526c

  日期：——

  Three new dinuclear copper(II) complexes, derived from end-to-end and end-on azido bridging ligands and triamine derivatives, have been synthesized and their crystal structures have been determined by X-ray diffraction methods. These are the dinuclear end-to-end compounds, [Cu2(μ1,3-N3)2(Et3dien)2](ClO4)2 (1) and [Cu2(μ1,3-N3)2(Medpt)2](ClO4)2 (2), and the dinuclear end-on compound [Cu2(μ1,1-N3)2(Medien)2](ClO4)2 (3) (Et3dien is triethyldiethylenetriamine, Medpt is methyldipropylenetriamine and Medien is methyldiethylenetriamine). The [Cu(μ-N3)2Cu]2+ cores are asymmetrical in all 3 compounds. Variable temperature magnetic susceptibility data were collected and fitted to the appropriate equation derived from the Hamiltonian H = −JS1S2. 1 shows unusual ferromagnetic interactions with J = 9 cm−1 through the end-to-end azido bridges while 2 shows an antiferromagnetic interaction through the end-to-end azido bridges with the highest reported absolute magnitude of J = −105 cm−1. The magnetic data of 1 and 2 have been correlated with the Addison parameter, τ, and mainly with the Cu–N3–Cu torsion angle, Δ. 3 shows an unusual antiferromagnetic interaction with J = −16.8 cm−1 through the end-on azido bridges.

  我们合成了三种新的双核铜(II)配合物，它们来自端对端和端对端叠氮桥接配体和三胺衍生物，并通过 X 射线衍射方法确定了它们的晶体结构。它们是双核端对端化合物 [Cu2(¼1,3-N3)2(Et3dien)2](ClO4)2 (1) 和 [Cu2(¼1,3-N3)2(Medpt)2](ClO4)2 (2)，以及双核端对端化合物 [Cu2(¼1、1-N3)2(Medien)2](ClO4)2(3)（Et3dien 是三乙基二乙烯三胺，Medpt 是甲基二丙烯三胺，Medien 是甲基二乙烯三胺）。这三种化合物中的[Cu(δ-N3)2Cu]2+磁芯都是不对称的。我们收集了变温磁感应强度数据，并将其与从哈密顿方程 Hâ=ââJS1S2 得出的适当方程进行了拟合。1 通过端对端叠氮桥显示出不寻常的铁磁相互作用，Jâ=â9 cmâ1，而 2 则通过端对端叠氮桥显示出反铁磁相互作用，据报道绝对值最高的 Jâ=â105 cmâ1。1 和 2 的磁性数据与 Addison 参数 Ï 相关，主要与 CuâN3âCu 扭转角 Î 相关。3 通过端对叠氮桥显示出不寻常的反铁磁相互作用，Jâ=â16.8 cmâ1。
• Synthesis, structural characterisation and magnetic behaviour of three new dinuclear end-to-end thiocyanato bridged copper(II) compounds derived from tridentate amines
  作者：Ramon Vicente、Albert Escuer、Evaristo Peñalba、Xavier Solans、Mercè Font-Bardı́a

  DOI：10.1016/s0020-1693(96)05197-3

  日期：1997.2

  169(2), b=13.842(2), c=12.071(2) Å, V=2534.5(6) Å3, Dx=1.773 g cm−3, Z=4, F(000)=1384, μ(Mo Kα)=21.07 cm−1, λ(Mo Kα)=0.71069 Å, 293(2) K. The magnetic susceptibility data of 1, 2 and 3 recorded from 290 to 4 K show that all three are virtually uncoupled compounds. The polycrystalline powder ESR spectra of 1, 2 and 3 recorded at 4, 77, 180 and 298 K remain unchanged, with g‖=2.18 and g⊥=2.06 for 1 and

  化合物[Cu 2（μ-SCN）2（Et 3 dien）2（ClO 4）2 ]（1），[Cu 2（μ-SCN）2（Me 5 dien）2 ]（ClO 4）2（2）和[Cu 2（μ-SCN）2（ept）2（ClO 4）2 ]（3），其中Et 3 dien为1,4,7-三乙基二亚乙基三胺，Me 5 dien为1,1,4,7， 7-五甲基二亚乙基三胺，ept为N合成并表征了-（2-氨基乙基）-1,3-丙二胺。的晶体结构1，2和3是由单晶X射线分析测定。1：化学式C 22 H 50 Cl 2 Cu 2 N 8 O 8 S 2，M = 816.80，单斜，空间群P 2 1 / c，a = 12.623（4），b = 8.708（3），c = 17.150 （3）Å。β= 110.31（2）°，V = 1767.9（9）埃3，dx = 1.534 g cm -3，Z = 2，F（000）= 852，μ（MoKα

表征谱图