(η5-MeC5H4)(η3-C3H5)2Cr

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (η5-MeC5H4)(η3-C3H5)2Cr
• 化学式: C₁₂H₁₇Cr
• 分子量: 213.263
• InChiKey: QVBHUWVSVYLFBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (η5-MeC5H4)(η3-C3H5)2Cr 、 环庚三烯 以 乙醚 为溶剂， 以60%的产率得到(η5-Me5C5)(η7-C7H7)Cr
  参考文献：
  名称：

  Organochromium π-complexes—VII. The reactions of Cp(η3-allyl)2Cr compounds with alkynes and alkenes

  摘要：

  The compounds (eta-RC5H4)(eta3-C3H5)2Cr (R = H, Me, t-C4H9) and (eta5-indenyl)(eta3-C3H5)2Cr react with alkynes (RC2R) with displacement of 1,5-hexadiene to give Cp'(eta6-R6C6)Cr species. Treatment with cyclooctatetraene gives compounds containing an eta6-C8H8 group while the final product of the reaction with cycloheptatriene contains an eta7-cycloheptatrienyl fragment. 1,3-Butadiene reacts with dimerization to give the diamagnetic, dinuclear species (Cp'Cr)2(mu-eta3,eta3-C8H12). The molecular structures Cp(eta6-Me6C6)Cr, (eta5-indenyl)(eta6-Me6C6)Cr and Cp(eta6-C8H8)Cr have been confirmed by X-ray diffraction.

  DOI：

  10.1016/s0277-5387(00)80116-3
• 作为产物：
  描述：

  {(η3-C3H5)2CrCl}2 、 lithium methylcyclopentadienide 以 乙醚 为溶剂， 以70%的产率得到(η5-MeC5H4)(η3-C3H5)2Cr
  参考文献：
  名称：

  Organochromium π-complexes—VI. The preparation of Cp′(η3-allyl)2Cr compounds and their reactions with donor ligands

  摘要：

  The title compounds have been prepared by reacting a Cp'CrCl2 or a (eta3-allyl)2CrCl species with either an allylmagnesium halide or a substituted cyclopentadienyllithium derivative. The compounds react further at room temperature to give the dinuclear species [Cp'(mu-eta3-allyl)Cr]2, and with P-donor ligands with reductive coupling of the allyl groups to give Cp'(eta2,eta2-1,5-hexadiene)CrPR3 species. Diene exchange is observed upon reacting the hexadiene compounds with butadiene or cyclohexadiene. The crystal structures of [Cp'(mu-eta3-C3H5)Cr]2, [(eta5-indenyl)(mu-eta3-C3H5)Cr]2, (eta5-indenyl) (eta2,eta2-1,5-hexadiene)CrP(OMe)3 and three compounds containing a 1,3-diene, viz. Cp(eta4-1,3-C4H6)CrPMe3, (eta5-Me5C5)(eta4-1,3-C4H6)CrCO and Cp(eta4-1,3-cyclohexadiene) CrP(OMe), have been established by X-ray diffraction.

  DOI：

  10.1016/s0277-5387(00)80115-1

文献信息

• Organochromium π-complexes—VI. The preparation of Cp′(η3-allyl)2Cr compounds and their reactions with donor ligands
  作者：P. Betz、A. Döhring、R. Emrich、R. Goddard、P.W. Jolly、C. Krüger、C.C. Romão、K.U. Schönfelder、Y.-H. Tsay

  DOI：10.1016/s0277-5387(00)80115-1

  日期：1993.11

  The title compounds have been prepared by reacting a Cp'CrCl2 or a (eta3-allyl)2CrCl species with either an allylmagnesium halide or a substituted cyclopentadienyllithium derivative. The compounds react further at room temperature to give the dinuclear species [Cp'(mu-eta3-allyl)Cr]2, and with P-donor ligands with reductive coupling of the allyl groups to give Cp'(eta2,eta2-1,5-hexadiene)CrPR3 species. Diene exchange is observed upon reacting the hexadiene compounds with butadiene or cyclohexadiene. The crystal structures of [Cp'(mu-eta3-C3H5)Cr]2, [(eta5-indenyl)(mu-eta3-C3H5)Cr]2, (eta5-indenyl) (eta2,eta2-1,5-hexadiene)CrP(OMe)3 and three compounds containing a 1,3-diene, viz. Cp(eta4-1,3-C4H6)CrPMe3, (eta5-Me5C5)(eta4-1,3-C4H6)CrCO and Cp(eta4-1,3-cyclohexadiene) CrP(OMe), have been established by X-ray diffraction.
• Organochromium π-complexes—VII. The reactions of Cp(η3-allyl)2Cr compounds with alkynes and alkenes
  作者：K. Angermund、P. Betz、A. Döhring、P.W. Jolly、C. Krüger、K.U. Schönfelder

  DOI：10.1016/s0277-5387(00)80116-3

  日期：1993.11

  The compounds (eta-RC5H4)(eta3-C3H5)2Cr (R = H, Me, t-C4H9) and (eta5-indenyl)(eta3-C3H5)2Cr react with alkynes (RC2R) with displacement of 1,5-hexadiene to give Cp'(eta6-R6C6)Cr species. Treatment with cyclooctatetraene gives compounds containing an eta6-C8H8 group while the final product of the reaction with cycloheptatriene contains an eta7-cycloheptatrienyl fragment. 1,3-Butadiene reacts with dimerization to give the diamagnetic, dinuclear species (Cp'Cr)2(mu-eta3,eta3-C8H12). The molecular structures Cp(eta6-Me6C6)Cr, (eta5-indenyl)(eta6-Me6C6)Cr and Cp(eta6-C8H8)Cr have been confirmed by X-ray diffraction.