4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro<1,2,4>triazine | 106745-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro<1,2,4>triazine
• 英文别名: 4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine；4-amino-2,3-dihydro-2,6-dimethyl-3-thioxo-1,2,4-triazin-5(4H)-one；4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro[1,2,4]triazine；4-amino-2,6-dimethyl-3-sulfanylidene-1,2,4-triazin-5-one
• CAS: 106745-40-8
• 化学式: C₅H₈N₄OS
• 分子量: 172.211
• InChiKey: SXLZHANZINZKKN-UHFFFAOYSA-N

物化性质

• 熔点：
  120 °C(Solv: ethanol (64-17-5))
• 沸点：
  253.7±23.0 °C(Predicted)
• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  94
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro<1,2,4>triazine 在 溴 作用下， 以 苯 为溶剂， 反应 49.0h， 生成
  参考文献：
  名称：

  Iminophosphorane-mediated Synthesis of Fused [1,3,4] Thiadiazoles: Preparation of Imidazo[2,1-b][1,3,4]thiadiazoles and [1,3,4]Thiadiazolo[2,3-c][1,2,4]triazine Derivatives

  摘要：

  DOI：

  10.3987/com-88-4602
• 作为产物：
  描述：

  2-methylthiocarbohydrazide 、 丙酮酸 以 水 为溶剂， 反应 24.0h， 以70%的产率得到4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro<1,2,4>triazine
  参考文献：
  名称：

  An Efficient Regioselective Synthesis of 7-Substituted 1,3-Dimethyl-4-oxo-4H-1,3,4-thiadiazolo[2,3-c]-1,2,4-triazinium Cations

  摘要：

  DOI：

  10.3987/r-1986-04-1031

文献信息

• Carbodiimide-mediated Annelation of a [1,2,4]Triazole Ring into a Heterocyclic Ring: Synthesis of [1,2,4]Triazolo[4,3-b]triazole, Imidazo[1,2-b][1,2,4]triazole and [1,2,4]Triazolo[1,5-d][1,2,4]triazine Derivatives
  作者：Pedro Molina、Mateo Alajar地、Alicia Ferao、Angeles Lorenzo、Ma Jes徭 Vilaplana、Enrique Aller、Jos� Planes

  DOI：10.3987/com-87-4320

  日期：——
• Reactivity of [(η6-arene)RuCl(μ-Cl)2] towards some potentially bidentate ligands. Molecular structure of [(η6-p-cymene)RuCl(taz)]PF6 (p-cymene = p-MeC6H4CH-Me2; taz = 2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine)
  作者：Gabriel García、Isabel Solano、Gregorio Sánchez、María D. Santana、Gregorio López、Jaume Casabó、Elíes Molins、Carles Miravitlles

  DOI：10.1016/0022-328x(94)88016-6

  日期：1994.3

  Reactions of [(eta6-arene)RuCl(mu-Cl)}2] [arene = benzene or p-cymene (p-isopropyltoluene)] have been carried out with 4-cyanopyridine (4-CNpy), o-aminophenol (oap), o-phenylenediamine (opda), p-phenylenediamine (ppda) and 2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine (taz). The isolated complexes are of the types [(eta6-C6H6)RuCl2L] [L = 4-CNpy (Ia) or oap (IIa)]. [(eta6-C6H6)RuClL2]Cl [L = oap (IIIa); L2 (bidentate) = opda (IVa) or taz (VIa)] or [(eta6-C6H6)Cl2Ru}2mu-ppda)] (VIIIa). Complexes IVa and VIa undergo anion exchange with KPF6 to give the corresponding hexafluorophosphates (Va and Vlla). The p-cymene analogues (Ib-VIIIb) have been obtained. Conductance measurements, thermogravimetry and spectroscopic (IR and H-1 and C-13 NMR) methods have been used to study the new compounds. The structure of VIIb was determined by X-ray diffraction methods. The ruthenium atom of the cation of VIIb is coordinated by the 4-amino (Ru-N = 2.14O(2) angstrom) and 3-thioxo (Ru-S = 2.354(1) angstrom) groups of the triazine and a chloride ligand (Ru-Cl = 2.394(1) angstrom). The eta6-p-cymene ring completes the hexacoordination.
• Sauter, Fritz; Jordis, Ulrich; Siddiqi, Suhaib M., Journal of Chemical Research, Miniprint, 1986, # 9, p. 2714 - 2730
  作者：Sauter, Fritz、Jordis, Ulrich、Siddiqi, Suhaib M.

  DOI：——

  日期：——
• Synthesis and structural study of complexes of nickel(II) with 4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-l,2,4-tria-zine
  作者：Gregorio López、Gregorio Sánchez、Gabriel García、Eduardo Pérez、Jaime Casabó、Elías Molins、Carlos Miravitlles

  DOI：10.1016/s0020-1693(00)86784-5

  日期：1990.12

  Bis-ligand nickel(II) complexes with 4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine have been prepared by reaction between the triazine and the corresponding nickel salt in the 2:1 molar ratio, respectively. Conductance, magnetic, and infrared and visible spectroscopy data have been used for structural assignments. Pseudooctahedral structures are proposed for the complexes with the triazine molecule acting either as a monodentate N-donor ligand or a bidentate N- and S-donor ligand. An X-ray structural determination carried out with [Ni(triazine)2(H2O)2](ClO4)2 shows that the triazine acts as a bidentate ligand via the 4-amino nitrogen and the 3-thioxo sulfur (Ni-S = 2.377 angstrom; Ni-N = 2.079 angstrom) and the two H2O molecules complete the hexacoordination of nickel(II) (Ni-O = 2.135 angstrom).
• Reactivity of [{η5-C5Me5RhCl(μ-Cl)}2] towards some potentially bidentate ligands
  作者：Gabriel García、Gregorio Sánchez、Isabel Romero、Isabel Solano、María D. Santana、Gregorio López

  DOI：10.1016/0022-328x(91)86388-7

  日期：1991.5

  The complex [Cp*RhCl(mu-Cl)}2] (Cp* = eta-5-C5Me5) reacts in dichloromethane with the relevant neutral ligands to give the complexes [Cp*RhCl2L] [L (monodentate) = omicron-aminophenol (oap), omicron-aminothiophenol (oatp), 4-cyanopyridine (4-CNpy)], or 4-amino-2,6-dimethyl-5-oxo-3-thioxo-1,2,3,4-tetrahydro-1,2,4-triazine (taz)], [Cp*RhCl2}2(mu-ppda)] (ppda = p-phenylenediamine), and [Cp*RhCl(L-L)Cl [L-L (chelating bidentate) = omicron-phenylenediamine (opda), ethylenediamine (en), or tetramethylethylenediamine (tmen)]. Anion exchange occurs when the opda complex is treated with KPF6, giving [Cp*RhCl(opda)]PF6. The new complexes have been characterized by elemental analysis, thermogravimetry, conductance measurements, and spectroscopic (IR and H-1 and C-13-NMR) methods.