[Mo(η(5)-C5H5)(CO)3(C10H7Ph2)] | 168842-67-9

• 英文名称: [Mo(η(5)-C5H5)(CO)3(C10H7Ph2)]
• CAS: 168842-67-9
• 化学式: C₃₀H₂₂MoO₃
• 分子量: 526.443
• InChiKey: KHXFIXAEYCZYLF-UHFFFAOYSA-N

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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Mo(η(5)-C5H5)(CO)3(C10H7Ph2)] 以 四氢呋喃 为溶剂， 以50%的产率得到MoH(C₅H₄C₁₀H₇(C₆H₅)2)(CO)3
  参考文献：
  名称：

  Chemistry of molybdenum complexes with (triphenylmethyl)allene

  摘要：

  The cationic allene complex [Mo(eta(5)-C5H5)(CO)(3)(eta(2)-CH2=C=CHCPh(3))]BF4 1, was converted into the dihydronaphthyl complex [Mo(eta(5)-C5H5)(CO)(3)(C(10)H(7)Ph(2))] in the presence of KSCN as the major product. When the reaction was carried out at high concentration, the allylic complex [Mo(eta(5)-C5H5) (CO)(2){eta(3)-CH2C(COC(10)H(7)Ph(2))CHCPh(3)}] was isolated as a minor product. Reaction of allene with the dihydronaphthyl complex also induced insertion of CO followed by C-C coupling to give the allylic complex [Mo(eta(5)-C5H5)(CO)(2){eta(3)-CH2C(COC(10)H(7)Ph(2))CH2}]. In CH CI, migration of the organic moiety on Mo in the dihydronaphthyl to the C5H5 ligand occurred giving [MoCl{eta(5)-C5H4(C(10)H(7)Ph(2))}(CO)(3)]. In tetrahydrofuran and MeCN, similar reactions gave [MoH{eta(5)-C5H4(C(10)H(7)Ph(2))}(CO)(3)] and C5H5(C(10)H(7)Ph(2)) respectively. Under thermolytic conditions [Mo(eta(5)-C5H5)(CO)(2)(PPh(3))(C(O)C(10)H(7)Ph(2))] was also converted into [MoCl{eta(5)-C5H4(C(10)H(7)Ph(2))}(CO)(2)(PPh(3))]. The latter complex and [W(eta(5)-C5H5)(CO)(3)(C(10)H(7)Ph(2))] have been characterized by X-ray diffraction analysis.

  DOI：

  10.1039/dt9950002351
• 作为产物：
  描述：

  [Mo(η(5)-C5H5)(CO)3(η(2)-(triphenylmethyl)allene)]BF4 在 KSCN 、 water 作用下， 以 乙腈 为溶剂， 以52%的产率得到[Mo(η(5)-C5H5)(CO)3(C10H7Ph2)]
  参考文献：
  名称：

  Chemistry of molybdenum complexes with (triphenylmethyl)allene

  摘要：

  The cationic allene complex [Mo(eta(5)-C5H5)(CO)(3)(eta(2)-CH2=C=CHCPh(3))]BF4 1, was converted into the dihydronaphthyl complex [Mo(eta(5)-C5H5)(CO)(3)(C(10)H(7)Ph(2))] in the presence of KSCN as the major product. When the reaction was carried out at high concentration, the allylic complex [Mo(eta(5)-C5H5) (CO)(2){eta(3)-CH2C(COC(10)H(7)Ph(2))CHCPh(3)}] was isolated as a minor product. Reaction of allene with the dihydronaphthyl complex also induced insertion of CO followed by C-C coupling to give the allylic complex [Mo(eta(5)-C5H5)(CO)(2){eta(3)-CH2C(COC(10)H(7)Ph(2))CH2}]. In CH CI, migration of the organic moiety on Mo in the dihydronaphthyl to the C5H5 ligand occurred giving [MoCl{eta(5)-C5H4(C(10)H(7)Ph(2))}(CO)(3)]. In tetrahydrofuran and MeCN, similar reactions gave [MoH{eta(5)-C5H4(C(10)H(7)Ph(2))}(CO)(3)] and C5H5(C(10)H(7)Ph(2)) respectively. Under thermolytic conditions [Mo(eta(5)-C5H5)(CO)(2)(PPh(3))(C(O)C(10)H(7)Ph(2))] was also converted into [MoCl{eta(5)-C5H4(C(10)H(7)Ph(2))}(CO)(2)(PPh(3))]. The latter complex and [W(eta(5)-C5H5)(CO)(3)(C(10)H(7)Ph(2))] have been characterized by X-ray diffraction analysis.

  DOI：

  10.1039/dt9950002351