triammoniumtriethyleneamine trichloride | 14350-52-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: triammoniumtriethyleneamine trichloride
• 英文别名: tris(2-aminoethyl)amine hydrochloride；tris(2-aminoethyl)amine trihydrochloride；Diethylenetriamine, trihydrochloride；N',N'-bis(2-aminoethyl)ethane-1,2-diamine;hydrochloride
• CAS: 14350-52-8
• 化学式: C₆H₂₁N₄*3Cl
• 分子量: 255.619
• InChiKey: OLOFKONCZZLWKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.41
• 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：
  81.3
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  triammoniumtriethyleneamine trichloride 在 LiOH*H₂O 、 AgO₃SCF₃ 作用下， 以 水 为溶剂， 生成 cis-diaqua-(.beta,β',β''-triaminoethylamine)rhodium(III) triflate
  参考文献：
  名称：

  Characteristic Spin−Orbit Induced ¹H(CH₂) Chemical Shifts upon Deprotonation of Group 9 Polyamine Aqua and Alcohol Complexes

  摘要：

  The recently observed nonintuitive pH dependence of methylene H-1 chemical shifts in cobalt(Ill) polyamine complexes upon deprotonation of coordinated aqua or (poly)alcohol coligands (J. Am. Chem. Soc. 2004, 126, 6728) was attributed to differential spin-orbit effects on the H-1 shifts transmitted over three bonds from the cobalt low-spin d(6) center. These remarkably large spin-orbit effects due to the comparably light Co center have now been examined closely by comparative computations for homologous Rh and Ir complexes, as well as by NMR titrations for a Rh complex. While larger spin-orbit effects (proportional to Z(2)) would have been expected for the heavier metal centers, the characteristic H-1 deshieldings upon deprotonation of [Rh(tren)(OH2)(2)](3+) [tren = tris(2-aminoethyl)-amine] turn out to be smaller than for the Co homologous Co complex. Systematic computational studies ranging from smaller models to the full complexes confirm these results and extend them to the Ir homologues. Closer analysis indicates that the spin-orbit shift contributions do not follow the expected 22 behavior but are modulated dramatically by increasing energy denominators in the perturbation expressions. This is related to the increasing ligand-field splitting from 3d to 4d to 5d system, leading to almost identical differential spin-orbit shifts for the Co and Rh complexes and to only moderately larger effects for the Ir complex (by a factor of about two). Moreover, the differential nonspin-orbit deprotonation shifts cancel the spin-orbit induced contributions largely in the Rh complex, leading to the experimentally observed inverted behavior. The full multidentate polyamine complexes studied experimentally exhibit different three- and four-bond Fermi-contact pathways for transmission of the spin-orbit H-1 shifts. The novel four-bond pathways have different conformational dependencies than the Karplus-like three-bond pathways established previously. Both types of contributions are of similar magnitude. The H-1 NMR deprotonation shift patterns of [Ir(tren)(OH2)(2)](3+) have been predicted computationally.

  DOI：

  10.1021/ja903637m
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 作用下， 生成 triammoniumtriethyleneamine trichloride
  参考文献：
  名称：

  Ristenpart, Chemische Berichte, 1896, vol. 29, p. 2530

  摘要：

  DOI：

文献信息

• Functional Mimicry of Carboxypeptidase A by a Combination of Transition State Stabilization and a Defined Orientation of Catalytic Moieties in Molecularly Imprinted Polymers
  作者：Jun-qiu Liu、Günter Wulff

  DOI：10.1021/ja8012648

  日期：2008.6.1

  interaction was established on the basis of (1)H NMR studies and potentiometric titration. The Cu(2+) center was introduced into the imprinted cavity during polymerization or by substitution of Zn(2+) in Zn(2+) imprinted polymers. The direct introduction displayed obvious advantages in promoting catalytic efficiency. With substrates exhibiting a very similar structure to the template, an extraordinarily

  已通过合成聚合物中的分子印迹构建了天然酶羧肽酶 A 的人工模型。用于碳酸盐水解的四面体过渡态类似物（TSA 4 和 5）已被设计为模板，以允许将主要催化元素、脒基团和 Zn(2+) 或 Cu(2+) 中心纳入定义的过渡态中的方向印记了活性位点。在 (1) H 核磁共振研究和电位滴定的基础上建立了功能单体和模板在 Cu(2+) 存在下通过化学计量非共价相互作用的络合。Cu(2+) 中心在聚合过程中被引入到印迹腔中，或由 Zn(2+) 印迹聚合物中的 Zn(2+) 取代。直接引入在提高催化效率方面具有明显优势。与显示出与模板非常相似的结构的基板，观察到 10(5) 倍的催化到未催化反应 (k(cat)/k(uncat)) 的速率非常高的增强。如果通过功能单体 3 与模板 5 的络合，在印迹腔中的一个 Cu(2+) 中心附近引入两个脒部分，印迹催化剂显示出更高的活性和效率，用于碳酸盐水解与 k(cat)
• Anion Coordination Chemistry: Polyguanidinium Salts as Anion Complexones
  作者：Bernard Dietrich、Deborah L. Fyles、Thomas M. Fyles、Jean-Marie Lehn

  DOI：10.1002/hlca.19790620827

  日期：1979.12.12

  stable complexes (at a given charge) than do polyguanidinium salts. However, whereas the complexation properties of the latter are independent of pH, the complexes of the former are observed only in the limited ranges of pH where both the protonated polyamine and the anion of interest can coexist. The polycationic ligands may, in principle, form chelate type anion complexes. Comparison with the corresponding

  描述了一系列潜在的作为阴离子络合物的聚胍盐的合成。在各种合成方法研究，发现polyguanidinium盐可以最方便地从多胺制备经由polynitroguanidine中间体。通过分析pH滴定数据，研究了这些络合物和相关的聚铵盐对磷酸根和羧酸根阴离子的络合作用。从相对稳定的络合物（log K s=水中的PO为2.0–4.0），在某些情况下也具有很好的选择性。络合的稳定性和选择性都主要受静电力控制，因此取决于相互作用物种中的电荷积累；还观察到结构效应。因为结合主要是静电的，所以聚铵盐比聚胍盐更稳定的络合物（在给定的电荷下）。然而，尽管后者的络合性质不依赖于pH，但是仅在有限的pH范围内观察到前者的络合物​​，在该范围内质子化的多胺和目标阴离子都可以共存。聚阳离子配体原则上可以形成螯合型阴离子络合物。与相应的单个结合位点的比较表明，络合常数增加了约两个或三个数量级。这可以被认为是多齿配体螯合作
• Inversion at Selenium in [M^III(RSeCH₂CH₂NH₂){N(CH₂CH₂NH₂)₃}]³⁺(M^III=Co, Rh; R=CH₃, CH₃CH₂, C₆H₅CH₂) and [Co(CH₃SeCH₂COO){N(CH₂CH₂NH₂)₃}]²⁺
  作者：Kiyohiko Nakajima、Katsuhiko Tozaki、Masaaki Kojima、Junnosuke Fujita

  DOI：10.1246/bcsj.58.1130

  日期：1985.4

  The selenoether (selenide) complexes, t-[Co(RSeCH2CH2NH2)(tren)]3+ (t=trans(tertiary amine nitrogen, Se); R=CH3, CH3CH2, C6H5CH2; tren=tris(2-aminoethyl)amine), p-[Rh(CH3SeCH2CH2NH2)(tren)]3+ (p=cis-(tertiary amine nitrogen, Se)), and t-[Co(CH3SeCH2COO)(tren)]2+ were prepared and resolved for the first time by the chemical or SP-Sephadex column chromatographic method. Racemization of these complexes in aqueous solutions was studied at an ionic strength of 0.25 (NaClO4) in the pH and temperature ranges of 4.00–6.91 and 0.25–33.50 °C, respectively. The racemization rates were independent of pH and an intramolecular inversion mechanism was suggested. The ΔG25°C\eweq values for inversion of t-[Co(RSeCH2CH2NH2)(tren)]3+ decreases in the order of CH3 (95.2 kJ mol−1)>CH3CH2 (89.4)>C6H5CH2 (87.7), while the ΔH\eweq values are almost the same (95–97 kJ mol−1). The variable-temperature 13C NMR study of p-[Co(CH3SeCH2CH2NH2)(tren)]3+ yielded the inversion rate constant, 10 s−1 at the coalescence temperature (ca. 60 °C), which is much larger than that of the corresponding t-isomer (8.5×10−3s−1 at 60 °C). The difference in inversion rate between the isomers seems to be related to the steric crowding around the Se-R group of the complex. The rhodium(III) complex racemizes slower than the corresponding cobalt(III) complex. The values of thermodynamic parameters for t-[Co(CH3SeCH2COO)(tren)]+2 are nearly the same as those for t-[Co(CH3SeCH2CH2NH2)(tren)]3+.

  硒醚（硒化物）配合物 t-[Co(RSeCH2CH2NH2)(tren)]3+（t=反式（叔胺氮，Se）；R=CH3、CH3CH2、C6H5CH2；tren=三（2-氨基乙基）胺）、p-[Rh(CH3SeCH2CH2NH2)(tren)]3+（p=顺式（叔胺氮，Se））和 t-[Co(CH3SeCH2COO)(tren)]2+。在 pH 值为 4.00-6.91 和温度为 0.25-33.50 °C、离子强度为 0.25 (NaClO4)的水溶液中研究了这些配合物的消旋化。消旋化速率与 pH 值无关，并提出了一种分子内反转机制。t-[Co(RSeCH2CH2NH2)(tren)]3+的反转ΔG25℃eweq值按照CH3（95.2 kJ mol-1）>CH3CH2（89.4）>C6H5CH2（87.7）的顺序递减，而ΔH\eweq值几乎相同（95-97 kJ mol-1）。通过对 p-[Co(CH3SeCH2CH2NH2)(tren)]3+进行变温 13C NMR 研究，发现在凝聚温度（约 60 °C）下的反转速率常数为 10 s-1，远大于相应 t 异构体的反转速率常数（60 °C 时为 8.5×10-3s-1）。异构体之间反转速率的差异似乎与络合物中 Se-R 基团周围的立体拥挤有关。铑（III）配合物的消旋化速度比相应的钴（III）配合物慢。t-[Co(CH3SeCH2COO)(tren)]+2 的热力学参数值与 t-[Co(CH3SeCH2CH2NH2)(tren)]3+几乎相同。
• Aggregation-induced near-infrared absorption of a pillar[5]arene trimer by charge transfer interaction
  作者：Lu-Zhi Liu、Xue Qin、Wen-Gui Duan、Hong-Fei Huang、Wen-Xue Zhang、Qing-Qing Zhou、Yan Huang

  DOI：10.1016/j.dyepig.2018.05.074

  日期：2018.11

  receptors 1a-1d, containing mono-, bis- and tris-pillar[5]arene frames, are synthesized, and their host-guest complexation with 1,4-butanediamine•HCl (BDH)and tris(2-aminoethyl)amine•HCl (TAH) are studied by NMR, UV–vis absorption, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Benzene-1,3,5-trispillar[5]arene 1a exhibits effective cooperativity and forms supramolecular

  合成了一系列的支柱[5]芳烃受体1a-1d，分别包含单，双和三支柱[5]芳烃骨架，并与1,4-丁二胺·HCl（BDH）和通过NMR，UV-vis吸收，扫描电子显微镜（SEM）和透射电子显微镜（TEM）研究了三（2-氨基乙基）胺·HCl（TAH）。苯-1,3,5-三毛[5]芳烃1a具有有效的协同作用，并分别与电子受体BDH和TAH形成超分子聚合物。有趣的是，受到1a - BDH和1a - TAH中电荷转移相互作用的驱动系统中，在可见光到近红外区域（400-1100 nm）观察到了新的显着聚集诱导吸收（AIA）。但是，支柱[5]芳烃1b - 1d没有显示出这种AIA字符。
• 功能化柱[5]芳烃三聚体的制备方法和应用
  申请人：广西大学

  公开号：CN105622406B

  公开（公告）日：2018-06-15

  本发明公开了功能化柱[5]芳烃三聚体的制备方法和应用。该柱[5]芳烃三聚体类化合物在主客体作用中具有良好的协同作用，功能化柱[5]芳烃三聚体的制备方法是采用化学合成方法，以对甲氧基苯与多聚甲醛为起始原料，通过催化、合成反应得到产品。本产品原料简单易得、方法操作简单，反应条件温和。对直链型二胺盐酸盐和支链型三胺盐酸盐两类阳离子分子识别中，能发生明显的电荷转移，在紫外上体现出非常特征的吸收峰，可用于紫外检测。