tris(trimethyl-l5-phosphaneyl)rhenium(VI) chloride | 102733-96-0

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: tris(trimethyl-l5-phosphaneyl)rhenium(VI) chloride
• CAS: 102733-96-0
• 化学式: C₉H₂₇Cl₃P₃Re
• 分子量: 520.801
• InChiKey: DOOXWRFJIBEGDJ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  6.14
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  tris(trimethyl-l5-phosphaneyl)rhenium(VI) chloride 在 NaBH₄ 、 350 作用下， 以 乙醇 、 苯 为溶剂， 以71%的产率得到
  参考文献：
  名称：

  铼分子间和分子内插入碳氢键

  摘要：

  通过用环戊二烯还原 ReCl/sub 3/(PMe/sub 3/)/sub 3/ (3) 的 Na/Hg 还原合成 CpRe(PMe/sub 3/)/sub 3/ (1)，产率为 38%。苯和环丙烷中的 1 的紫外线照射释放出 PMe/sub 3/ 并产生各自的 CH 插入产物 Cp-(PMe/sub 3/)/sub 2/Re(Ph)H (4, 64%) 和 Cp(PMe/ sub 3/)/sub 2/Re(cC/sub 3/H/sub 5/)H (5, 38%)。1 在正己烷或环戊烷中的辐照提供 Cp(PMe/sub 3/)/sub 2/Re(nC/sub 6/H/sub 13/)H (8, 15%) 和 Cp(PMe/sub 3/ )/sub 2/Re(cC/sub 5/H/sub 9/)H (9, 17%) 但仅低于 -30/sup 0/。在环己烷中以 5-10/sup 0/C 辐照

  DOI：

  10.1021/ja00276a025
• 作为产物：
  描述：

  trans-[ReOCl3(PPh3)2] 、 三甲基膦 以 甲苯 为溶剂， 以71%的产率得到tris(trimethyl-l5-phosphaneyl)rhenium(VI) chloride
  参考文献：
  名称：

  A comparative study of the isomers of ReOCl3(PMe3)2 and ReOCl3(PEt3)2. The isolation and characterization of ReH7(PR3)2 and ReO(OEt)Cl2(PR3)2 (R=Me or Et) and the photoelectron spectrum of ReH7(PMe3)2

  摘要：

  The reactions of mer-trans-ReOCl3(PPh3)(2) with PMe3 and PEt3 provide a route to the isomers fac-cis-ReOCl3(PR3)(2) and mer-trans-ReOCl3(PR3)(2) (R = Me or Et) which can be converted to ReH7(PR3)(2) (R = Me or Et) in ca. 60% yield by reaction with LiAlH4 in THF and subsequent hydrolysis of the reaction mixtures. The properties of these heptahydrides have been examined, including studies of the remarkable stability of aqueous solutions of ReH7(PMe3)(2) and the measurement of the gas-phase He(I) photoelectron spectrum of this complex. While the fac-cis and mer-trans isomers of ReOCl3(PR3)(2) (R = Me or Et) do not convert to ReO(OEt)Cl-2(PR3)(2) upon reaction with ethanol, these ethoxides can be prepared by the reaction of mer-trans-ReO(OEt)Cl-2(PPh3)(2) with PMe3 and PEt3. The reactions of the isomers of ReOCl3(PMe3)(2) with ethylamine, followed by the treatment of the reaction products with acetone, afford the salt [Me3PCMe2CH2C(O)CH3]ReO4. The compounds fac-cis-ReOCl3(PEt3)(2), trans -ReO(OEt)Cl-2(PMe3)(2) and [Me3PCMe2CH2C(O)CH3] ReO4 have been structurally characterized by X-ray crystallography. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00419-3

文献信息

• Inter- and intramolecular oxidative addition of phosphine, methane, alkane, and alkene carbon-hydrogen bonds to rhenium
  作者：Robert G. Bergman、Paul F. Seidler、Timothy T. Wenzel

  DOI：10.1021/ja00300a061

  日期：1985.7

  Les complexes cyclopentadienyl- et pentamethylcyclopentadienyl-Re sont capables d'activation de C-H inter- et intramoleculaire si des coordinats donneurs d'electrons appropries sont attaches au centre metallique

  Les complexes cyclopentadienyl- et pentamethylcyclopentadienyl-Re sont能够d'activation de CH inter- et moleculaire sides coordinats donneurs d'electrons apppropries sont attaches au center metallique
• Herrmann, Wolfgang A.; Fischer, Roland A.; Felixberger, Josef K., Zeitschrift fur Naturforschung, B: Chemical Sciences, 1988, vol. 43, # 11, p. 1391 - 1404
  作者：Herrmann, Wolfgang A.、Fischer, Roland A.、Felixberger, Josef K.、Paciello, Rocco A.、Kiprof, Pavlo、Herdtweck, Eberhardt

  DOI：——

  日期：——
• The synthesis, characterization and X-ray crystal structures of the fac-cis and mer-trans isomers of ReOCl3(PMe3)2
  作者：Andrea L. Ondracek、Phillip E. Fanwick、Richard A. Walton

  DOI：10.1016/s0020-1693(97)05540-0

  日期：1998.1

  The reaction of mer-trans-ReOCl3(PPh3)(2) with PMe3 in benzene/THF affords an approximately equimolar mixture of the previously unreported fac-cis-ReOCl3(PMe3)(2) (1) and mer-trans-ReOCl3(PMe3)(2) (2) as blue and green crystals, respectively. These isomers, which can easily be separated, have been structurally characterized by X-ray crystallography. In the structure of 1, the Re-O distance is 1.670(5) Angstrom, while the axial Re-Cl bond (trans to Re=O) is longer (2.453(2) Angstrom) than the two equatorial Re-Cl bonds (2.381(2) and 2.386(2) Angstrom. The structure of 2 is complicated by an orientation disorder in which the O=Re-Cl unit is arranged in two opposite orientations such that the half atoms Re and Re' are well resolved but the O/Cl half atoms coalesce. (C) 1998 Elsevier Science S.A.