trans,trans,trans-ReO(OEt)Cl2(pyrimidine)2 | 349545-36-4

• 英文名称: trans,trans,trans-ReO(OEt)Cl2(pyrimidine)2
• 英文别名: trans-ReOCl2(OEt)(pyrimidine)
• CAS: 349545-36-4
• 化学式: C₁₀H₁₃Cl₂N₄O₂Re
• 分子量: 478.352
• InChiKey: LPYVWWVKQSHCKN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为反应物：
  描述：

  trans,trans,trans-ReO(OEt)Cl2(pyrimidine)2 、 2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ⁵-phospha-spiro[4.4]nonane 以 甲苯 为溶剂， 以85%的产率得到cis-ReOCl2(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ(5)-phosphaspiro[4.4]nonane-H)(pyrimidine)
  参考文献：
  名称：

  Mono and dinuclear Re(V) complexes with a hydrospirophosphorane HP∼O derived ligand: Synthesis, structural analysis and molecular dynamics

  摘要：

  Two neutral mono and dinuclear rhenium(V) complexes, cis-ReOCl2(P similar to O)(pym) (1) and cis-[ReOCl2(P similar to O)](2)(mu-pym) (2 center dot (CH3)(2)CO), with the hydrospirophosphorane ligand HP similar to O (HP similar to O=octamethyl-2,2,3,3,7,7,8,8-tetraoxa-5 lambda(5) 1,4,6,9-phosphaspiro-4,4-nonane) have been prepared. The coordination geometry of the complexes has been determined in solution by NMR and UV-Vis spectroscopy, as well as in the solid state by IR, FIR spectroscopy and single crystal X-ray diffraction. The complexes display distorted octahedral geometries. X-ray structures of 1 and 2 reveal that the ReCl2NP fragments are equatorially disposed and the oxygens, terminal oxo and alcoholato, lie in axial positions. The pyrimidine coordinates as a monodentate or bridging ligand. Detailed temperature dependent H-1 NMR analysis for both 1 and 2 shows that in solution the diaza moiety exhibits hindered rotation about the Re-N bond. Furthermore two concomitant conformation changes, one in the metallacycle and the second in the phosphorus cycle, are also observed for dimer 2. Crown Copyright (c) 2008 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.10.045
• 作为产物：
  描述：

  乙醇 、 Re2O3Cl4(pyrimidine)4 以 乙醇 为溶剂， 生成 trans,trans,trans-ReO(OEt)Cl2(pyrimidine)2
  参考文献：
  名称：

  复杂的桥联配体：氧化or（V）化合物与单配位吡嗪或嘧啶作为构建多核体系结构的可能构建基块

  摘要：

  oxorhenium（的反应性V）前体用简单的二氮杂配体 如 吡嗪 （pyz）和 嘧啶（pym）进行了调查。在一定范围的不同条件下用过量的pyz或pym处理ReOCl 3（Me 2 S）（OPPh 3）或ReO（OEt）Cl 2（PPh 3）2会产生一系列的氧代和二氧代（（V ）具有一个或多个末端配位的diaza的化合物配体，即双核物种Re 2 O 3 Cl 4（pyz）4 1和Re 2 O 3 Cl 4（pym）4 2，以及单核复合物trans，trans，trans -ReO（OEt）Cl 2（pyz）2 3，反式，反式，反式-ReO（OEt）Cl 2（pym）2 4，反式，反式，反式-ReO（OEt）Cl 2（pyz）（PPh3） 5和[反式-ReO 2（pyz） 4 ] [PF 6 ] 7。通过常规光谱技术在溶液和固态下对新化合物进行了表征。的晶体结构1， 3， 5，和7还测定。双

  DOI：

  10.1039/b009295i