Re(O)Cl2(OC2H5)(py)2 | 23032-87-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Re(O)Cl2(OC2H5)(py)2
• 英文别名: ReO(OEt)Cl2(py)2
• CAS: 23032-87-3；64069-70-1
• 化学式: C₁₂H₁₅Cl₂N₂O₂Re
• 分子量: 476.376
• InChiKey: PEESWZRKEBNHRE-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：
  None

反应信息

• 作为反应物：
  描述：

  Re(O)Cl2(OC2H5)(py)2 、 三甲氧基磷 以 甲苯 为溶剂， 生成 cis-[ReOCl2(P(OCMe2CMe2O)2)(C5H5N)]
  参考文献：
  名称：

  Oxo-rhenium(V) complexes containing bridging phosphito ligands. The synthesis, characterisation and X-ray crystal structures of [ReOCl{μ-OP(OR)2}{OCMe2CMe2OP(OCMe2CMe2O)}]2 (R=Me or CMe2)

  摘要：

  The oxo-rhenium(V) complexes [ReOCl2(P similar to O)L] (P similar to O = (OCMe2CMe2O)PoCMe2CMe2O-), L = py (1), PPh3 (2) or OPPh3 (3)) react with P(OMe)(3) or spirophosphorane HP(OCMe2CMe2O)(2) (HP similar to O) affording the related mu -phosphito(1-) bridged dimeric compounds [ReOCl{mu -OP(OR)(2)}(P similar to O)](2) (R = Me (4) or -CMe2 (5)). The mu -phosphito ligands result from Arbuzov-like dealkylation reactions. Complexes 4 and 5 were characterised by NMR, IR, LTV-VIS spectroscopic methods. In solution, both the light brown complexes 4 and 5 remain dimeric and comprise two equivalent six-coordinated monomeric subunits stereochemically rigid at ambient temperature. The complexes appeared to be rather inert in attempted substitution reactions. In the crystal state, in spite of the molecular C-i symmetry of 4, complex 5 reveals a distorted pseudocentrosymmetric C-1 geometry. The multiply bonded terminal oxo ligands. (Re=O 1.681(5) Angstrom (4), 1.684(5) and 1.691(5) Angstrom (5)) are in cis arrangements to two phosphito bridges. Two different phosphito bridged cores Re{mu -OP(OR)(2)}(2)Re (R = Me (4), -CMe2 (5)) adopt the chair conformation. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00881-6

文献信息

• Neutral and cationic oxo-methyl complexes of rhenium(V); X-ray structure of ReOMe2Cl(PMe3)2
  作者：David M. Hoffman、Derk A. Wierda

  DOI：10.1016/s0277-5387(00)86452-9

  日期：1989.1
• Synthesis and structure of ReO(PMe3)(CH2SiMe3)3 and reaction with carbon monoxide
  作者：Shiang. Cai、David M. Hoffman、Dimitrios. Lappas、Hee Gweon. Woo、John C. Huffman

  DOI：10.1021/om00154a001

  日期：1987.11.1