Mo(SnPh3)(CO)2(=CPh(OEt))(η-C5H5)

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Mo(SnPh3)(CO)2(=CPh(OEt))(η-C5H5)
• 化学式: C₃₄H₃₀MoO₃Sn
• 分子量: 701.26
• InChiKey: UECWGFJPQPCRCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  11.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Mo(SnPh3)(CO)2(=CPh(OEt))(η-C5H5) 在 I₂ 作用下， 以 二氯甲烷 为溶剂， 以65%的产率得到{MoI(CO)2(η-C5H5)C(OEt)Ph}
  参考文献：
  名称：

  Synthesis and reactions of the carbene complexes [M(SnPh₃)(CO)₂{C(OEt)Ph}L](M = Mo or W; L =η-C₅H₅,η-C₅Me₅or indenyl), [M(SnPh₃)(CO)₂{C(OEt)Me}(η-C₅H₅)](M = Mo or W) and [MI(CO)₂{C(OEt)R}(η-C₅H₅)](M = Mo or W, R = Me or Ph). X-Ray crystal structures of [Mo(SnPh₃)(CO)₂{C(OEt)Ph}(η-C₅Me₅)] and [WI(CO)₂{C(OEt)Ph}(η-C₅H₅)]

  摘要：

  Treatment of the tricarbonyls [M(SnPh3)(CO)3L] [M = Mo or W; L = eta-C5H5, eta-C5Me5 or eta-5-C9H7-(indenyl)] with LiPh followed by [OEt3][BF4] results in the formation of the carbenes [M(SnPh3)-(CO)2{ = C(OEt)Ph}L] in good to high yields. Related reactions of [M(SnPh3)(CO)3(eta-C5H5)] but using LiMe afford [M(SnPh3)(CO)2{= C(OEt)Me}(eta-C5H5)]. The complex trans-[M(SnPh3)(CO)2{= C-(OEt)Ph}(eta-C5Me5)] is monoclinic, a = 14.611(36), b = 16.788(20), c = 16.183(30) angstrom, beta = 96.08(18)-degrees, and R = 0.0888 for 2117 independent reflections. While the eta-C5H5 and indenyl complexes exist as pairs of isomers in solution generated by rotation about the M = C(carbene) bond, the eta-C5Me5 complexes exist as single isomers in solution. Treatment of [M(SnPh3)(CO)2{= C(OEt)Ph}(eta-C5H5)] (M = Mo or W) with I2 results in formation of the iodometal species [MI(CO)2{= C(OEt)Ph}(eta-C5H5)]. The complex [WI(CO)2{= C(OEt)Ph}(eta-C5H5)] is monoclinic, a = 9.34(3), b = 13.00(2), c = 13.53(3) angstrom, beta = 97.8(2)-degrees, and R = 0.0812 for 2091 independent reflections. In solution this compound exists as three trans isomers and one cis. Treatment of [M(SnPh3)(CO)2{= C(OEt)Ph}(eta-C5Me5)] with I2 results in the eventual formation of [MoPh(CO)3(eta-C5Me5)] in the molybdenum case and [MI3-(CO)2(eta-C5Me5)] in both cases.

  DOI：

  10.1039/dt9910000749
• 作为产物：
  描述：

  CpMo(CO)₃(SnPh₃) 、 triethyloxonium fluoroborate 在 LiPh 作用下， 以 乙醚 为溶剂， 以88%的产率得到Mo(SnPh3)(CO)2(=CPh(OEt))(η-C5H5)
  参考文献：
  名称：

  Synthesis and reactions of the carbene complexes [M(SnPh₃)(CO)₂{C(OEt)Ph}L](M = Mo or W; L =η-C₅H₅,η-C₅Me₅or indenyl), [M(SnPh₃)(CO)₂{C(OEt)Me}(η-C₅H₅)](M = Mo or W) and [MI(CO)₂{C(OEt)R}(η-C₅H₅)](M = Mo or W, R = Me or Ph). X-Ray crystal structures of [Mo(SnPh₃)(CO)₂{C(OEt)Ph}(η-C₅Me₅)] and [WI(CO)₂{C(OEt)Ph}(η-C₅H₅)]

  摘要：

  Treatment of the tricarbonyls [M(SnPh3)(CO)3L] [M = Mo or W; L = eta-C5H5, eta-C5Me5 or eta-5-C9H7-(indenyl)] with LiPh followed by [OEt3][BF4] results in the formation of the carbenes [M(SnPh3)-(CO)2{ = C(OEt)Ph}L] in good to high yields. Related reactions of [M(SnPh3)(CO)3(eta-C5H5)] but using LiMe afford [M(SnPh3)(CO)2{= C(OEt)Me}(eta-C5H5)]. The complex trans-[M(SnPh3)(CO)2{= C-(OEt)Ph}(eta-C5Me5)] is monoclinic, a = 14.611(36), b = 16.788(20), c = 16.183(30) angstrom, beta = 96.08(18)-degrees, and R = 0.0888 for 2117 independent reflections. While the eta-C5H5 and indenyl complexes exist as pairs of isomers in solution generated by rotation about the M = C(carbene) bond, the eta-C5Me5 complexes exist as single isomers in solution. Treatment of [M(SnPh3)(CO)2{= C(OEt)Ph}(eta-C5H5)] (M = Mo or W) with I2 results in formation of the iodometal species [MI(CO)2{= C(OEt)Ph}(eta-C5H5)]. The complex [WI(CO)2{= C(OEt)Ph}(eta-C5H5)] is monoclinic, a = 9.34(3), b = 13.00(2), c = 13.53(3) angstrom, beta = 97.8(2)-degrees, and R = 0.0812 for 2091 independent reflections. In solution this compound exists as three trans isomers and one cis. Treatment of [M(SnPh3)(CO)2{= C(OEt)Ph}(eta-C5Me5)] with I2 results in the eventual formation of [MoPh(CO)3(eta-C5Me5)] in the molybdenum case and [MI3-(CO)2(eta-C5Me5)] in both cases.

  DOI：

  10.1039/dt9910000749

文献信息

• New routes to molybdenum and tungsten carbyne complexes [M(CO)₂(CPh)(η-C₅H₄R)](M = Mo or W, R = SnPh₃; M = W, R = H)
  作者：Harry Adams、Neil A. Bailey、Gary W. Bentley、Jayne E. Muir、Mark J. Winter

  DOI：10.1039/c39950000515

  日期：——

  Treatment of the ethoxy carbenes [M(SnPh3)(CO)2C(OEt)Ph}(η-C5H5)](M = Mo or W) with LDA or LDA/HMPA followed by PhC(O)Cl results in the carbyne complexes [M(CO)2(CPh)(η-C5H4SnPh3)]via anions [M(CO)2C(OEt)Ph}(η-C5H4SnPh3)]–, while treatment of [W(SnPh3)(CO)3(η-C5H5)] with LiPh followed by TMEDA/MeC(O)Cl results in the carbyne [W(CO)2(CPh)(η-C5H5)].

  用 LDA 或 LDA/HMPA 处理乙氧基卡宾 [M(SnPh3)(CO)2C(OEt)Ph}(δ-C5H5)](M = Mo 或 W)，然后用 PhC(O)Cl 处理，结果为碳炔配合物 [M(CO)2(CPh)(δ-C5H4SnPh3)] 通过阴离子 [M(CO)2C(OEt)Ph}(δ-C5H4SnPh3)]–，同时处理 [W (SnPh3)(CO)3(δ-C5H5)] 与 LiPh 反应，然后 TMEDA/MeC(O)Cl 产生碳炔 [W(CO)2(CPh)(δ-C5H5)]。
• Synthesis of molybdenum and tungsten nonheteroatom stabilised carbene complexes M(SnPh₃)(CO)₂(CPhR)(η-C₅H₅)(M = Mo, W; R = H, Me); and an example of triphenyltin to nonheteroatom stabilised carbene migration
  作者：Mark J. Winter、Simon Woodward

  DOI：10.1039/c39890000457

  日期：——

  Treatment of M(SnPh3)(CO)2CPh(OEt)}(η-C5H5)(M = Mo, W) with LiBEt3H or MeLi followed by acid gives M(SnPh3)(CO)2(CPhR)(η-C5H5)(R = H, Me); one of these compounds, Mo(SnPh3)(CO)2(CHPh)(η-C5H5),undergoes a reversible SnPh3 to nonheteroatom stabilised carbene migration at ambient temperature.

  M（SnPh的处理3）（CO）2 器CPh（OET）}（η-C 5 H ^ 5）（M =钼，钨）与利贝特3 H或的MeLi接着进行酸给出M（SnPh 3）（CO）2（CPhR）（η-C 5 H ^ 5）（R = H，Me）的; 这些化合物中的一种，钼（SnPh 3）（CO）2（CHPh配合）（η-C 5 H ^ 5），经历可逆SnPh 3至nonheteroatom在环境温度下稳定的卡宾迁移。
• Synthesis and reactions of LM(SnPh3)(CO)2{C(OEt)Ph} (L = C5Me5 or η5-C9H7; M = Mo or W)
  作者：Gary W. Bentley、Gordon Hough、Mark J. Winter、Simon Woodward

  DOI：10.1016/s0277-5387(00)80674-9

  日期：1989.1
• Synthesis and reactions of the carbene complexes [M(SnPh₃)(CO)₂{C(OEt)Ph}L](M = Mo or W; L =η-C₅H₅,η-C₅Me₅or indenyl), [M(SnPh₃)(CO)₂{C(OEt)Me}(η-C₅H₅)](M = Mo or W) and [MI(CO)₂{C(OEt)R}(η-C₅H₅)](M = Mo or W, R = Me or Ph). X-Ray crystal structures of [Mo(SnPh₃)(CO)₂{C(OEt)Ph}(η-C₅Me₅)] and [WI(CO)₂{C(OEt)Ph}(η-C₅H₅)]
  作者：Harry Adams、Neil A. Bailey、Gary W. Bentley、Gordon Hough、Mark J. Winter、Simon Woodward

  DOI：10.1039/dt9910000749

  日期：——

  Treatment of the tricarbonyls [M(SnPh3)(CO)3L] [M = Mo or W; L = eta-C5H5, eta-C5Me5 or eta-5-C9H7-(indenyl)] with LiPh followed by [OEt3][BF4] results in the formation of the carbenes [M(SnPh3)-(CO)2 = C(OEt)Ph}L] in good to high yields. Related reactions of [M(SnPh3)(CO)3(eta-C5H5)] but using LiMe afford [M(SnPh3)(CO)2= C(OEt)Me}(eta-C5H5)]. The complex trans-[M(SnPh3)(CO)2= C-(OEt)Ph}(eta-C5Me5)] is monoclinic, a = 14.611(36), b = 16.788(20), c = 16.183(30) angstrom, beta = 96.08(18)-degrees, and R = 0.0888 for 2117 independent reflections. While the eta-C5H5 and indenyl complexes exist as pairs of isomers in solution generated by rotation about the M = C(carbene) bond, the eta-C5Me5 complexes exist as single isomers in solution. Treatment of [M(SnPh3)(CO)2= C(OEt)Ph}(eta-C5H5)] (M = Mo or W) with I2 results in formation of the iodometal species [MI(CO)2= C(OEt)Ph}(eta-C5H5)]. The complex [WI(CO)2= C(OEt)Ph}(eta-C5H5)] is monoclinic, a = 9.34(3), b = 13.00(2), c = 13.53(3) angstrom, beta = 97.8(2)-degrees, and R = 0.0812 for 2091 independent reflections. In solution this compound exists as three trans isomers and one cis. Treatment of [M(SnPh3)(CO)2= C(OEt)Ph}(eta-C5Me5)] with I2 results in the eventual formation of [MoPh(CO)3(eta-C5Me5)] in the molybdenum case and [MI3-(CO)2(eta-C5Me5)] in both cases.