(2-(5-phenyl-3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethanol)dichloridozinc(II) | 1270942-15-8

• 英文名称: (2-(5-phenyl-3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethanol)dichloridozinc(II)
• CAS: 1270942-15-8
• 化学式: C₁₆H₁₅Cl₂N₃OZn
• 分子量: 401.611
• InChiKey: FHUPSMOSQVOCHT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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

• 作为产物：
  描述：

  2-(5-phenyl-3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethanol 、 zinc(II) chloride 在 triethyl orthoformate 作用下， 以 乙醇 为溶剂， 以46%的产率得到(2-(5-phenyl-3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethanol)dichloridozinc(II)
  参考文献：
  名称：

  Preparation, separation and characterisation of two regioisomers of a N-hydroxyalkylpyridylpyrazole ligand: A structural investigation of their coordination to Pd(II), Pt(II) and Zn(II) centres

  摘要：

  The reaction of the beta-diketone 1-phenyl-3-(pyridyn-2-yl)propane-1,3-dione, and the monosubstituted hydrazine 2-hydroxyethylhydrazine has been investigated. Two regioisomers were identified, 2-(3-phenyl-5-(pyridyn-2-yl)-1H-pyrazol-1-yl)ethanol (pzol.1) and 2-(5-phenyl-3-(pyridyn-2-yl)-1H-pyrazol-1-yl) ethanol (pzol.2) in 57:43 ratio. The separation of the regioisomers was done by silica column chromatography using ethyl acetate as eluent.Palladium(II) and platinum(II), [MCl2(pzol.1)(2)], [MCl2(pzol.2)], and zinc(II), [ZnCl2(pzol.1)], [ZnCl2(pzol.2)] complexes were synthesised and characterised. The crystals and molecular structures of [PdCl2(pzol.2)]center dot H2O and [ZnCl2(pzol.2)] were solved by X-ray diffraction, and consist of mononuclear complexes. In complex [PdCl2(pzol.2)]center dot H2O, the Pd(II) centre has a typical square planar geometry, with a slight tetrahedral distortion. The tetra-coordinated atom is bonded to one pyridinic nitrogen, one pyrazolic nitrogen and two chlorine atoms in cis disposition. The pzol.2 ligand acts as a bidentate chelate forming a five-membered metallocycle ring. In complex [ZnCl2(pzol.2)], the Zn(II) is five-coordinated with two Zn-N bonds (Zn-N-pz and Zn-N-py), one Zn-OH bond and two Zn-Cl bonds. The coordination geometry is intermediate between a trigonal bipyramid and a square pyramid. In this complex, the ligand pzol.2 is tridentated and forms two metallocycle rings. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.11.041