[Co(tris(2-aminoethyl)amine)Cl2]Cl | 20023-19-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [Co(tris(2-aminoethyl)amine)Cl2]Cl
• 英文别名: [Co(tren)Cl₂]Cl；N',N'-bis(2-aminoethyl)ethane-1,2-diamine;trichlorocobalt
• CAS: 20023-19-2
• 化学式: C₆H₁₈Cl₂CoN₄*Cl
• 分子量: 311.588
• InChiKey: FTQJOMHIIIDEPL-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [Co(tris(2-aminoethyl)amine)Cl2]Cl 在 pyridine 作用下， 以 not given 为溶剂， 生成 chloropyridine-tris(2-aminoethyl)amine cobalt(III) tetrachlorozincate hemihydrate
  参考文献：
  名称：

  半水合氯吡啶-三（2-氨基乙基）胺钴（III）四氯锌酸酯（II）的异构体的晶体和分子结构：[Co（tren）pyCl] ZnCl4·H2O

  摘要：

  摘要标题化合物的结构已由计数器数据确定。晶体是正交晶体，空间群P212121，a = 18.177（8），b = 12.564（6），c = 8.932（4）A，Z =4。该结构已通过全矩阵最小二乘法精炼为a最终常规R值为0.044。络合阳离子的配位几何形状接近规则的八面体，tren配体与钴离子配位，氮原子占据一个顶端（Nte·rt）和三个赤道位置。吡啶通过其氮原子与反式配体的叔胺结合。ZnCl4阴离子呈扭曲的四面体构型。

  DOI：

  10.1016/s0020-1693(00)83726-3

文献信息

• Preparation, Racemization, and Deuteration of 2-(Methylthio)propionato-<i>S</i>,<i>O</i>and 2-Sulfinatopropionato-<i>S</i>,<i>O</i>Complexes of Cobalt(III)
  作者：Masaaki Kojima、Junnosuke Fujita

  DOI：10.1246/bcsj.56.2958

  日期：1983.10

  (+)589-[CoSCH(CH3)COO}(tren)]+, (−)589-[CoCH3SCH(CH3)COO}(tren)]2+, and (+)589-[CoS(O)2CH(CH3)COO}(tren)]+ (tren=tris(2-aminoethyl)amine) were prepared and assigned to the trans(tertiary amine nitrogen, S) isomer with the R carbon atom on the basis of the absorption, CD, and 1H NMR spectra. Racemization of the complexes was studied in aqueous solutions with ionic strength of 0.1, 0.2, or 1.0 (NaClO4) in the pH and temperature ranges of 5.96–6.86 and 19.9–49.5 °C, respectively. The CH3SCH(CH3)COO− and −O2SCH(CH3)COO− complexes follow the rate law, R=kr[OH−][complex]. The second-order rate constants (kr) for the former and the latter complexes are 4.6×103 (35.3 °C) and 7.8×103 (35.2 °C) mol−1 dm3s−1, respectively. The −SCH(CH3)COO− complex did not racemize under these conditions. Deuteration of the methine protons in the complexes was found to proceed simultaneously with the racemization. The differences in reactivity to racemization and proton exchange among three complexes were accounted for by the difference in electron-withdrawing effect of the −S–, S(CH3)–, and −S(O)2– groups, and by the difference in net charge of the complex ions.

  合成并指认了(+)589-[CoSCH(CH3)COO}(tren)]+、(−)589-[Co SCH( )COO}(tren)]2+和(+)589-[CoS(O)2CH( )COO}(tren)]+ (tren=tris(2-aminoethyl)胺)为trans(叔胺氮、硫)异构体和R碳原子, 依据的是吸收、CD和1H核磁谱。在水溶液中研究了这些配合物的消旋过程, 离子强度为0.1、0.2或1.0 (NaClO4), pH值和温度范围分别为5.96–6.86和19.9–49.5 °C。 SCH( )COO−和−O2SCH( )COO−配合物遵循速率定律, R=kr[OH−][配合物]。上述和下述配合物的二级速率常数(kr)分别为4.6×103 (35.3 °C)和7.8×103 (35.2 °C) mol−1 dm3s−1。在这些条件下, −SCH( )COO−配合物没有发生消旋。配合物中的次甲基质子氘代过程是与消旋同时发生的。三种配合物在消旋和质子交换反应性上的差异可归结为−S–、S( )–和−S(O)2– 的吸电子效应不同以及配合物离子的净电荷不同。
• Preparation and Some Properties of Cobalt(III) Complexes with 1-Thio-<i>β</i>-D-glucose (H₅tg). Crystal Structure of<i>Δ</i>_D-[Co(H₃tg-O,S)(en)₂]NO₃
  作者：Ken-ichi Okamoto、Kenji Arashi、Jinsai Hidaka、Takumi Konno

  DOI：10.1246/bcsj.67.2736

  日期：1994.10

  (H5tg), [Co(H4tg-S)2(en)2 or (tren)}]+ and [Co(H3tg-O,S)(en)2 or (tren)}]+, were newly prepared; where en and tren denote ethylenediamine and tris(2-aminoethyl)amine, respectively. The oxidation products of [Co(H3tg-O,S)(en)2 or (tren)}]+ were prepared by the addition of H2O2. These complexes were separated into their isomers by column chromatography. The crystal structure of -[Co(H3tg-O,S)(en)2]NO3·H2O

  钴 (III) 与 1-硫代-β-D-葡萄糖 (H5tg)、[Co(H4tg-S)2(en)2 或 (tren)}]+ 和 [Co(H3tg-O,S) (en)2 或 (tren)}]+，是新准备的；其中 en 和 tren 分别表示乙二胺和三（2-氨基乙基）胺。[Co(H3tg-O,S)(en)2 or (tren)}]+ 的氧化产物是通过加入 H2O2 制备的。这些复合物通过柱色谱分离成它们的异构体。-[Co(H3tg-O,S)(en)2]NO3·H2O 的晶体结构由 X 射线衍射确定：该复合物，化学式 CoC10H16O8N5S，以正交晶系结晶，空间群 P212121，a = 14.328(1 )，b = 14.617(1)，c = 8.605(1) A，V = 1802.2(3) A3，Z = 4，R = 0.055。钴原子周围的几何形状近似八面体，由一个 1-硫代-β-D-葡萄糖和两个
• Synthesis and characterization of (Ru(II), Co(III)) heterobimetallic complexes formed with a 1,10-phenanthroline based hydroxamic acid conjugate
  作者：Imre Nagy、Etelka Farkas、Jana Kasparkova、Hana Kostrhunova、Viktor Brabec、Péter Buglyó

  DOI：10.1016/j.jorganchem.2020.121265

  日期：2020.6

  techniques. Reaction of [Co(4 N)Cl]Cl2 with 1 proved the exclusive (O,O) coordination of the ligand to the [Co(4 N)]3+ core to yield [Co(tpa)(phenha)](ClO4)2, (2). Subsequent treatment of 1 with [Ru(η6-p-cym)Cl2]2 and [Co(4 N)Cl]Cl2 in a one-pot reaction resulted in the formation of [(η6-p-cym)Ru(Cl)(phenha)Co(tren)]Cl(PF6)2 (3) and [(η6-p-cym)Ru(Cl)(phenha)Co(tpa)](PF6)3 (4) in which the organometallic

  一种新型的双齿型异羟肟酸衍生物（phenhaH，1），其中包含基于（O，O）和1,10-菲咯啉（phen）的（N，N）供体原子，以及包含八面体[Co（4 N ）] 3+（4 N =三（2-氨基乙基）胺（TREN）或三（2-甲基吡啶基）胺（TPA））和半夹心型[（η 6 - p -cym）的Ru] 2+实体已经使用各种分析技术对它们进行了合成和表征。[Co（4 N）Cl] Cl 2与1的反应证明了配体与[Co（4 N）] 3+核的排他（O，O）配位，产生[Co（TPA）（phenha）] ClO 4）2，（2）。后续处理的1用的[Ru（η 6 - p -cym）氯2 ] 2和[CO（4 N）CL]氯2在一个单釜反应导致的形成[（η 6 - p -cym）的Ru（Cl）的（phenha）的Co（TREN）]氯（PF 6）2（3）和[（η 6 - p -cym）的Ru（Cl）的（phenha）的Co（TPA）]（PF
• Synthesis, structure and properties of cobalt(III) complexes of pentadentate ligands with pyridyl pendant arms
  作者：Grant A. McLachlan、Suzanne J. Brudenell、Gary D. Fallon、Raymond L. Martin、Leone Spiccia、Edward R. T. Tiekink

  DOI：10.1039/dt9950000439

  日期：——

  pentadentate ligands 3-[4-(2-pyridyl)-3-azabut-3-enyl]-3-azapentane-1,5-diamine (L1), 3-[4-(2-pyridyl)-3-azabutyl]-3-azapentane-1,5-diamine (L2) and 1,4-bis(2-pyridylmethyl)-1,4,7-triazacyclononane (L4) have been synthesized. Various characterization studies have confirmed the formation of the complexes [CoL4(OH2)]3+, [Co(L4)Cl]2+, [Co(L1)Cl]2+, [Co(L2)Cl]2+ and [Co(HL3)Cl]2+(HL3= 3-2-[hydroxy(2-pyri

  五齿配体3- [4-（2-吡啶基）-3-氮杂丁-3-烯基] -3-氮杂戊烷-1,5-二胺（L 1），3- [4-（2 ）的钴（III）配合物-吡啶基）-3-氮杂丁基] -3-氮杂戊烷-1,5-二胺（L 2）和1,4-双（2-吡啶基甲基）-1,4,7-三氮杂环壬烷（L 4）。各种表征研究已经证实了复合物[CoL 4（OH 2）] 3+，[Co（L 4）Cl] 2 +，[Co（L 1）Cl] 2 +，[Co（L 2）Cl ] 2+和[Co（HL 3）Cl] 2+（HL 3＝ 3- 2- [羟基（2-吡啶基）亚甲基氨基]乙基} -3-氮杂戊烷-1，5-二胺）[Co（L 1）Cl] 2+在酸性溶液中的氧化产物。[CoL 4（OH 2）] [ClO 4 ] 3 ·H 2 O的结构已通过单晶X射线衍射测定。该络合物在正交空间群P 2 1 2 1 2 1中结晶，其中a = 15.090（3），b = 16
• Conglomeratic Solid Solutions in<i>trans</i>(<i>N</i>,<i>t</i>-<i>N</i>)-[Co(leucinato)(tren)]I₂and<i>trans</i>(<i>N</i>,<i>t</i>-<i>N</i>)-[Co(norleucinato or norvalinato)(tren)][ClO₄]₂[<i>t</i>-<i>N</i>= tertiary amine nitrogen; tren = tris(2-aminoethyl)amine]
  作者：Kazuaki Yamanari、Akira Fuyuhiro

  DOI：10.1246/bcsj.69.1289

  日期：1996.5

  Ternary solubility isotherms of trans(N,t-N)-[Co(leu)(tren)]I2, trans(N,t-N)-[Co(n-leu)(tren)][ClO4]2, and trans(N,t-N)-[Co(n-val)(tren)][ClO4]2 [t-N = tertiary amine nitrogen; leu = leucinate(1−), n-leu = norleucinate(1−), n–val = norvalinate(1−), and tren = tris(2-aminoethyl)amine] were determined at 25 °C. Each isotherm consists of two branches of the solubility curve and one eutectic point; the tie lines do not converge to any apex of the pure enantiomers, but diverge widely. These facts mean that the three complexes simultaneously form a conglomerate and a solid solution. X-Ray crystal analyses were carried out for crystals grown from the three racemic aqueous solutions. All of the crystals were isomorphous to each other in spite of having different amino acidates and counter ions. The crystal structures clearly demonstrated the coexistence of d-amino acidate and l-amino acidate at one site of the crystal lattice, that is, a solid solution. Furthermore, all of the crystals were partially optically active: d : l = 63 : 37 for leu complex (space group P32), d : l = 32 : 68 for n-leu one (P31), and d : l = 44 : 56% for n-val one (P31). Head-to-tail hydrogen bonding contacts, which form spiral chains along the c-axis, were commonly found for these complexes.

  转型[N,t-N]-[Co(leu)(tren)]I2、转型[N,t-N]-[Co(n-leu)(tren)][ClO4]2和转型[N,t-N]-[Co(n-val)(tren)][ClO4]2的三元溶解度等温线在25°C下被确定。[t-N = 叔胺氮；leu = 白氨酸（1−）；n-leu = 脱氨基白氨酸（1−）；n-val = 脱氨基缬氨酸（1−）；tren = 三（2-氨基乙基）胺]。每个等温线由两个溶解度曲线分支和一个共晶点组成；联络线并不汇聚到任何纯手性异构体的顶点，而是大幅发散。这些事实意味着这三种复合物同时形成了集合体和固体溶液。对从三种外消旋水溶液中生长的晶体进行了X射线晶体分析。尽管具有不同的氨基酸盐和对离子，但所有晶体在形态上是同构的。晶体结构清楚地证明了在晶体晶格的一个位点上存在d-氨基酸盐和l-氨基酸盐的共存，即一种固体溶液。此外，所有的晶体都有部分光学活性：白氨酸复合物的d:l = 63:37（空间群P32），脱氨基白氨酸复合物的d:l = 32:68（P31），脱氨基缬氨酸复合物的d:l = 44:56%（P31）。这些复合物普遍存在头尾氢键接触，形成沿c轴的螺旋链。