mer-trans ReOCl3(P(CH3)3)2 complex | 200062-21-1

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: mer-trans ReOCl3(P(CH3)3)2 complex
• 英文别名: mer-trans-ReOCl3(PMe3)2；fac-cis-ReOCl3(trimethylphosphine)2；fac-cis ReOCl3(P(CH3)3)2 complex；fac-cis-ReOCl3(PMe3)2
• CAS: 200062-21-1；200138-55-2；371759-36-3
• 化学式: C₆H₁₈Cl₃OP₂Re
• 分子量: 460.722
• InChiKey: XDGXVBBSCVOVLG-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  mer-trans ReOCl3(P(CH3)3)2 complex 在 ethanol 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 trans-ReO(OEt)Cl2(PMe3)2 complex
  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
• 作为产物：
  描述：

  tris(trimethyl-l5-phosphaneyl)rhenium(VI) chloride 、 氧气 以 苯 为溶剂， 以32%的产率得到mer-trans ReOCl3(P(CH3)3)2 complex
  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

• 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.
• The synthesis, characterization and X-ray crystal structures of the fac-cis and mer-trans isomers of Re(NEt)Cl3(PMe3)2
  作者：Andrea L. Ondracek、Phillip E. Fanwick、Richard A. Walton

  DOI：10.1016/s0020-1693(98)00012-7

  日期：1998.9

  The fac-cis and mer-trans isomers of Re(NEt)Cl-3(PMe3)(2) (1 and 2, respectively) have been prepared and their structures established by X-ray crystallography. This is the first instance where both isomers of a particular complex of the type Re(NR)X-3(PR3')(2) (R = alkly or aryl; X = halide; PR3' = tertiary phosphine) have been structurally characterized, and the first examples where an alkylimido ligand is present in combination with triakylphosphine ligands. The Re-N bond distances in 1 and 2 are 1.68(1) and 1.68(2) A, respectively, and the Re = N-C unit is essentially linear (177(1)degrees for 1 and 177(2)degrees for 2). (C) 1998 Elsevier Science S.A. All rights reserved.