2-(2-Pyridinylimino)-3-(4,5-dihydrothiazol-2-yl)thiazolidine | 112934-47-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(2-Pyridinylimino)-3-(4,5-dihydrothiazol-2-yl)thiazolidine
• 英文别名: 2-(2-pyridyl)imino-N-(2-thiazolin-2-yl)thiazolidine；3-(4,5-Dihydro-1,3-thiazol-2-yl)-N-(pyridin-2-yl)-1,3-thiazolidin-2-imine；3-(4,5-dihydro-1,3-thiazol-2-yl)-N-pyridin-2-yl-1,3-thiazolidin-2-imine
• CAS: 112934-47-1
• 化学式: C₁₁H₁₂N₄S₂
• 分子量: 264.375
• InChiKey: JNHTXZRAURFBSE-UHFFFAOYSA-N

物化性质

• 沸点：
  444.9±37.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  91.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 2-(2-Pyridinylimino)-3-(4,5-dihydrothiazol-2-yl)thiazolidine 以 甲醇 为溶剂， 以87%的产率得到[Cd(NO3)2(2-(2-pyridyl)imino-N-(2-thiazolin-2-yl)thiazolidine)(H2O)]
  参考文献：
  名称：

  Synthesis and structural characterization of cadmium(II) complexes with 2-(2-pyridyl)imino-N-(2-thiazolin-2-yl)thiazolidine (PyTT)

  摘要：

  We have carried out the synthesis of the cadmium coordination compounds [Cd(NO3)(2)(PyTT)(H2O)] (1) and [CdCl2 {(mu-Cl)(2)CdCl( mu-Cl)(2)(mu-PyTT)Cd}(2)](n) (2), together with their structural determination by means of X-ray diffraction. The compounds were also characterized through elemental analysis and infrared spectroscopy. The first complex presents a distorted pentagonal bipyramidal geometry with the axial positions occupied by one oxygen atom from a water molecule and a second one from a nitrate ion which acts as a monodentate ligand, whereas the equatorial plane contains three nitrogen atoms from the organic moiety and two oxygen atoms coming from the other nitrate group, which is bidentate. The structure of the second complex consists of parallel sheets linked by van der Waals forces, each one made up of structural units [CdCl2{(mu-Cl)(2)CdCl(mu-Cl)(mu-PyTT)Cd}(2)], which possesses two PyTT ligands, 10 bridging chloro ligands and 5 cadmium(II) centres belonging to three environment types: octahedral CdN2Cl4, octahedral CdCl6, on which a centre of symmetry is located, and tetrahedral CdNCl3. present in a 2:1:2 ratio. (C) 2003 Published by Elsevier B.V.

  DOI：

  10.1016/j.ica.2003.11.015
• 作为产物：
  描述：

  2-氨基吡啶 、 异硫氰酸氯代乙酯 以 乙醚 为溶剂， 以27%的产率得到2-(2-Pyridinylimino)-3-(4,5-dihydrothiazol-2-yl)thiazolidine
  参考文献：
  名称：

  Avalos, Martin; Babiano, Reyes; Cintas, Pedro, Heterocycles, 1993, vol. 35, # 2, p. 1237 - 1246

  摘要：

  DOI：

文献信息

• Synthesis, crystal structure, spectroscopic and magnetic properties of copper(II) complexes with 2-(2-pyridyl)imino-N-(2-thiazolin-2-yl)thiazolidine (PyTT)
  作者：F.J. Barros-Garcı́a、A. Bernalte-Garcı́a、F.J. Higes-Rolando、F. Luna-Giles、M.A. Maldonado-Rogado、E. Viñuelas-Zahı́nos

  DOI：10.1016/j.ica.2004.04.001

  日期：2004.9

  The copper(II) complexes [Cu(PyTT)2(H2O)](NO3)2 (A) and [CuCl2(μ-PyTT)2CuCl(H2O)]Cl · 3H2O (B) were synthesized and characterized by single crystal X-ray diffraction, IR spectroscopy, UV–Vis–NIR diffuse reflectance and magnetic susceptibility measurements. In the mononuclear compound A the copper ion is in a distorted square pyramidal geometry, with the equatorial plane formed by two thiazoline nitrogen

  铜（II）配合物[Cu（PyTT）2（H 2 O）]（NO 3）2（A）和[CuCl 2（μ-PyTT）2 CuCl（H 2 O）] Cl·3H 2 O（B）合成并通过单晶X射线衍射，红外光谱，UV-Vis-NIR漫反射率和磁化率测量进行表征。在单核化合物A中，铜离子呈扭曲的方形锥体形状，赤道面由两个噻唑啉氮原子，一个亚氨基氮原子和一个水分子形成，而轴向位点由一个亚氨基氮原子占据。化合物B是双核的，两个Cu（II）中心都存在可被描述为略微扭曲的方形金字塔形几何结构的环境。观察到的A的摩尔磁化率（μ = 2.13 BM）可以排除金属与金属的相互作用，从而为该化合物提供了一种单体结构。在化合物B中，在6.2–288 K的温度范围内的磁化率测量结果显示二聚体内反铁磁相互作用（J = -11.8 cm -1）。
• Coordination chemistry of thiazoline/thiazolidine derivatives. I: Crystal structure of 2-(2-pyridyl)imino-N-(2-thiazolin-2-yl)thiazolidine (PyTT) and study of its interaction with nickel(II)
  作者：A. Bernalte-Garcı́a、F.J. Garcı́a-Barros、F.J. Higes-Rolando、F. Luna-Giles

  DOI：10.1016/s0277-5387(99)00203-x

  日期：1999.9

  Abstract The crystal structure of 2-(2-pyridyl)imino-N-(2-thiazolin-2-yl)thiazolidine (PyTT) is reported. The compound diaquabis[2-(2-pyridyl)imino-N-(2-thiazolin-2-yl)thiazolidine]nickel(II) chloride trihydrate has been isolated and characterized by IR, UV–Vis–NIR diffuse reflectance and X-ray diffraction. The complex cation has crystallographic C2 symmetry. The environment around the nickel atom

  摘要报道了2-（2-吡啶基）亚氨基-N-（2-噻唑啉-2-基）噻唑烷（PyTT）的晶体结构。化合物diaquabis [2-（2-吡啶基）亚氨基-N-（2-噻唑啉-2-基）噻唑烷]氯化镍（II）三水合物已被分离并通过IR，UV-Vis-NIR漫反射和X-表征射线衍射。络合物阳离子具有晶体学C 2对称性。镍原子周围的环境可以描述为扭曲的八面体几何形状，其中金属原子与两个水分子[Ni–O（1）= 2.114（2）A]，两个噻唑啉氮[Ni–N（1）= 2.061]配位（2）A]和两个亚氨基氮[Ni–N（3）= 2.086（2）A]。氢键存在于连接PyTT配体，水分子和氯离子的结构中。
• Outcalt, Russell J., Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 1425 - 1428
  作者：Outcalt, Russell J.

  DOI：——

  日期：——
• The coordination chemistry of thiazoline/thiazolidine derivatives. II: synthesis and characterization of [CoCl2(PyTT)] and [ZnCl2(PyTT)] [PyTT=2-(2-pyridyl)imino-N-(2-thiazolin-2-yl)thiazolidine]
  作者：A Bernalte-Garcı́a、F.J Garcı́a-Barros、F.J Higes-Rolando、F Luna-Giles

  DOI：10.1016/s0277-5387(01)00943-3

  日期：2001.12

  The compounds dichloro[2-(2-pyridyl)imino-kappaN-N-(2-thiazolin-kappaN-2-yl)thiazolidine]cobalt(II) and dichloro[2-(2-pyridyl)imino-kappaN-N-(2-thiazolin-kappaN-2-yl)thiazolidine]zinc(II) have been isolated and characterized by single crystal X-ray diffraction and IR spectroscopy. Moreover, the cobalt(II) complex has been studied by means of magnetic susceptibility measurements and UV-Vis-NIR diffuse reflectance. Both complexes are isostructural. The environment around the cobalt(II) and zinc(II) atoms may be described as a distorted tetrahedral geometry with the metallic atoms coordinated to two chlorine atoms [Co-Cl(1) = 2.241(1) Angstrom: Co-Cl(2) = 2,2210) Angstrom]. [Zn-Cl(1) = 2.235(1) Angstrom: Zn-Cl(2) = 2.211(1) Angstrom]. one thiazoline nitrogen [Co-N(1) = 1.982(2) Angstrom], [Zn-N(1) = 2.021(2) Angstrom] and one imino nitrogen [Co-N(3) = 2.009(1) Angstrom], [Zn-N(3) = 2.056(2) Angstrom]. (C) 2001 Elsevier Science Ltd. All rights reserved.