fac-[Re(3,3-bis(3,5-dimethylpyrazol-1-yl)propionate)(CO)2(NO)](BF4) | 1177415-62-1

• 英文名称: fac-[Re(3,3-bis(3,5-dimethylpyrazol-1-yl)propionate)(CO)2(NO)](BF4)
• CAS: 1177415-62-1
• 化学式: BF₄*CH₂Cl₂*C₁₅H₁₇N₅O₅Re
• 分子量: 705.275
• InChiKey: TXAUENMEDXDBFS-UHFFFAOYSA-M

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：

  二氯甲烷 、 fac-[Re(3,3-bis(3,5-dimethylpyrazol-1-yl)propionate)(CO)3] 、 nitrosonium tetrafluoroborate 以 二氯甲烷 为溶剂， 以31%的产率得到fac-[Re(3,3-bis(3,5-dimethylpyrazol-1-yl)propionate)(CO)2(NO)](BF4)
  参考文献：
  名称：

  3,3-Bis(3,5-dimethylpyrazol-1-yl)propionic acid: A tripodal N,N,O ligand for manganese and rhenium complexes – Syntheses and structures

  摘要：

  The tripodal N,N,O ligands 3,3-bis(3,5-dimethylpyrazol-1-yl)propionic acid (Hbdmpzp) (1) and 3,3- bis(pyrazol-1-yl)propionic acid (Hbpzp) (2) form the "missing link" between the well-known bis(pyrazol-1-yl) acetic acids and related ligands with a longer "carboxylate arm". To illustrate the reactivity of this ligand, manganese and rhenium complexes bearing the ligand bdmpzp are reported. The complexes are compared to related compounds bearing other tripod ligands such as bis(3,5-dimethylpyrazol-1-yl) acetate (bdmpza) and 3,3-bis(1-methylimidazol-2-yl) propionate (bmip). Spectroscopic and structural data are used as a basis for comparison, as well as DFT calculations. Both ligands 1 and 2 and the complexes fac-[Mn(bdmpzp)(CO)(3)] (3) and fac-[Re(bdmpzp)(CO)(3)] (4) were characterised by X-ray crystallography. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.03.037