2-(indazol-1-yl)-2-thiazoline | 875326-01-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 2-(indazol-1-yl)-2-thiazoline
• 英文别名: 2-Indazol-1-yl-4,5-dihydro-1,3-thiazole；2-indazol-1-yl-4,5-dihydro-1,3-thiazole
• CAS: 875326-01-5
• 化学式: C₁₀H₉N₃S
• 分子量: 203.268
• InChiKey: AORKZGXMZABJBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(indazol-1-yl)-2-thiazoline 以 乙酸酐 、 溶剂黄146 、 丙酮 为溶剂， 生成 Pd(κ2-O,O'-acetylacetonato)(κ2-C,N-2-(indazol-1-yl)-2-thiazoline)
  参考文献：
  名称：

  噻唑啉和噻嗪吲唑衍生物与乙酸钯（II）的不同行为研究

  摘要：

  关于配体2-（吲唑-1-基）-2-噻唑啉（1）和2-（吲唑-1-基）-1,3-噻嗪（2）与乙酸钯（II）的反应性的研究已有可以分离出不同的化合物。对于噻唑啉吲唑衍生物（1），具有环palpalated的化合物：（μ-OAc）2 [Pd（k 2 - C，N -TnInA）] 2（1a）和双齿[C（sp 2，苯基），N] -获得了配体和中央的“ Pd（μ-OAc）2 Pd”单元。用乙酰丙酮钠处理二聚化合物1a产生了单核化合物[Pd（ķ 2 - ø，ö '-acac）（ķ 2 - ç，Ñ -TnInA）]（1C）。的反应1A用LiCl，然后加入PPH的3得到化合物[的PdCl（PPH 3）（ķ 2 - ç，Ñ -TnInA）]（1E），其中乙酸酯基团被取代氯-和PPH 3个配体，并与PPH 3在顺式排列的金属化的碳原子上。1e的固态结构通过单晶X射线衍射法测定。的反应2用乙酸钯产生的，而相比之下，配体1，该复合词S-

  DOI：

  10.1016/j.jorganchem.2011.11.034

文献信息

• Synthesis and structural characterization of cobalt(II) and zinc(II) complexes with 2-(indazol-1-yl)-2-thiazoline (TnInA). X-ray characterization of [CoCl2(TnInA)2]·C2H6O and [(M)(TnInA)2(H2O)2](NO3)2 (M=Co, Zn)
  作者：M.A. Maldonado-Rogado、E. Viñuelas-Zahínos、F. Luna-Giles、F.J. Barros-García

  DOI：10.1016/j.poly.2007.07.043

  日期：2007.11

  Several complexes of 2-(indazol-1-yl)-2-thiazoline (TnInA) with the divalent ions Co and Zn have been synthesized by the direct combination of the ligand and the metal chloride or nitrate hydrated salts in ethanol. These complexes have been characterized by a variety of physical–chemical techniques. Moreover, the structures of [CoCl2(TnInA)2] · C2H6O (1) and [(M)(TnInA)2(H2O)2](NO3)2 (M = Co, 3; Zn, 4)

  通过配体与金属氯化物或硝酸盐水合盐在乙醇中的直接结合，合成了2-（吲唑-1-基）-2-噻唑啉（TnInA）与二价离子Co和Zn的几种配合物。这些配合物的特征在于多种物理化学技术。此外，[CoCl 2（TnInA）2 ]·C 2 H 6 O（1）和[（M）（TnInA）2（H 2 O）2 ]（NO 3）2（M = Co，3 ;锌4通过单晶X射线衍射测定。在所有配合物中，配体TnInA通过吲唑和噻唑啉氮原子与金属离子键合。在络合物1中，钴离子周围的环境可描述为具有两个TnInA配体和两个氯配体的扭曲八面体。化合物3和4是同构结构，在金属中心周围具有扭曲的八面体几何形状，并与两个水分子和两个TnInA配体相连。然而，在络合物[ZnCl 2（TnInA）]（2）中，锌原子与可能的四面体环境四配位，其中两个氯配体和一个与金属离子键合的TnInA配体。
• Influence of heterocycles arrangement in structural isomeric ligands on coordination sphere of copper(II) complexes: Crystal structures and spectroscopic characterization
  作者：M.A. Maldonado-Rogado、E. Viñuelas-Zahínos、F. Luna-Giles、A. Bernalte-García

  DOI：10.1016/j.poly.2006.10.001

  日期：2007.4

  New copper complexes with two structural isomeric ligands, 2-(indazol-1-yl)-2-thiazoline (TnInA) and 2-(indazol-2-yl)-2-thiazoline (TnInL), have been synthesized and characterized by magnetic measurements, IR, electronic and EPR spectroscopies. Moreover, the molecular structures of [Cu(NO3)(TnInA)(2)(H2O)](NO3) center dot (H2O) (1) and [Cu(NO3)(2)(TnInL)(H2O)] (2) have been resolved by single-crystal X-ray diffraction studies. In compound 1 the copper ion is in a distorted octahedral geometry, with the equatorial plane formed by four nitrogen donor atoms from two organic ligands and the axial positions occupied by two oxygen atoms from a water molecule and a mono-coordinated nitrate anion. The coordination geometry around the copper atom in compound 2 can be described basically as a square pyramid with two nitrogen atoms from TnInL ligand, one oxygen atom from a water molecule and one oxygen atom from a nitrate group in the equatorial plane. The axial position is occupied by one oxygen atom from a nitrate group. Likewise, a second oxygen atom from the last nitrate group in equatorial position might involve in a weak sixth coordination position to give a (4 + 1 + 1*) coordination mode. (C) 2006 Elsevier Ltd. All rights reserved.
• The coordination behaviour of two structural isomeric ligands towards cadmium (II): Synthesis, spectroscopic characterization and crystal structures
  作者：F.J. Barros-García、F. Luna-Giles、M.A. Maldonado-Rogado、E. Viñuelas-Zahínos

  DOI：10.1016/j.poly.2005.06.058

  日期：2006.1

  Two new structural isomeric ligands, 2-(indazol-1-yl)-2-thiazoline (TnInA) (1) and 2-(indazol-2-yl)-2-thiazoline (TnInL) (2), have been prepared and characterized by a variety of physico-chemical techniques. Likewise, the cadmium (II) complexes [Cd(NO3)(2)-(TnInA)(2)] (3) and [Cd(NO3)(2)(TnInL)(2)] (4) have been isolated and characterized through elemental analysis, IR and UV-Vis spectroscopy. Moreover, the structures have been determined by X-ray diffraction. Both ligands act as bidentate ligands through thiazoline nitrogen atom and indazole nitrogen atom, making a five-membered chelate ring. The environment around the cadmium (II) atom in both complexes may be described as a triangulated dodecahedral geometry. (c) 2005 Elsevier Ltd. All rights reserved.
• Study of the different behaviour of thiazolin and thiazin indazole derivatives with palladium(II) acetate
  作者：Amparo Caubet、Ramon Bosque、Elies Molins、Fernando J. Barros、Francisco Luna

  DOI：10.1016/j.jorganchem.2011.11.034

  日期：2012.3

  diffraction methods. The reaction of 2 with palladium(II) acetate produced, in contrast to ligand 1, the complex cis-[Pd(OAc)2(k2-N,N′-TzIn)] (2a) with a bidentate [N,N′] ligand. Compound 2a reacted with LiCl giving cis-[PdCl2(k2-N,N′-TzIn)] (2b), where the acetate groups were exchanged by chloride ligands. DFT calculations suggest that the most favoured compound obtained from the reaction between 1 and palladium(II)

  关于配体2-（吲唑-1-基）-2-噻唑啉（1）和2-（吲唑-1-基）-1,3-噻嗪（2）与乙酸钯（II）的反应性的研究已有可以分离出不同的化合物。对于噻唑啉吲唑衍生物（1），具有环palpalated的化合物：（μ-OAc）2 [Pd（k 2 - C，N -TnInA）] 2（1a）和双齿[C（sp 2，苯基），N] -获得了配体和中央的“ Pd（μ-OAc）2 Pd”单元。用乙酰丙酮钠处理二聚化合物1a产生了单核化合物[Pd（ķ 2 - ø，ö '-acac）（ķ 2 - ç，Ñ -TnInA）]（1C）。的反应1A用LiCl，然后加入PPH的3得到化合物[的PdCl（PPH 3）（ķ 2 - ç，Ñ -TnInA）]（1E），其中乙酸酯基团被取代氯-和PPH 3个配体，并与PPH 3在顺式排列的金属化的碳原子上。1e的固态结构通过单晶X射线衍射法测定。的反应2用乙酸钯产生的，而相比之下，配体1，该复合词S-