2H-furan-2-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;yttrium(3+) | 165269-67-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2H-furan-2-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;yttrium(3+)
• CAS: 165269-67-0
• 化学式: C₂₄H₃₃OY
• 分子量: 426.431
• InChiKey: GFIKRIBJLYSZBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.97
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  吡啶 、 2H-furan-2-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;yttrium(3+) 以 氘代苯 为溶剂， 生成 2H-furan-2-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;pyridine;yttrium(3+)
  参考文献：
  名称：

  Permethyl Yttrocene 2-Furyl Complexes:  Synthesis and Ring-Opening Reactions of the Furyl Moiety

  摘要：

  Permethyl yttrocene 2-furyl ate-complexes Cp*Y-2(mu-C4H3O)(mu-Cl)Li(THF)(2) (1, Cp* C-5-Me-5) and Cp*Y-2(mu-C4H3O)(2)Li(TMEDA) (2) were obtained by reaction Of Cp*(2)(mu-Cl)(2)Li(OEt2)(2) with 1 and 2 equiv of 2-lithiofuran, respectively. Furan is metalated by (Cp*2YH)2 in hydrocarbon solvents to give the 2-furyl complex Cp*Y-2(eta(2)-C4H3O) (3). With Lewis bases, 3 reacts to give the adducts Cp*Y-2(eta(1)-C4H3O)(L) (L = THF, 4; pyridine), of which 4 was crystallographically characterized. Compound 3 decomposes through deprotonation and ring-opening of the 2-furyl group to give the (crystallographically characterized) bimetallic ynylenolate complex (Cp*Y-2)(2)(mu-OCH=CHCdropC) (5). With excess H-2, 3 is transformed into the crystallographically characterized oxo-complex (Cp*Y-2)(2)(mu-O) (6), free furan, and n-butane. In the presence of a large excess of furan, this reaction stops at the enolate species Cp*(2)-YOCH=CHEt.

  DOI：

  10.1021/om011009s
• 作为产物：
  描述：

  呋喃 、 bis[bis(pentamethylcyclopentadienyl)(μ-hydride)yttrium] 以 正戊烷 为溶剂， 以60%的产率得到2H-furan-2-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;yttrium(3+)
  参考文献：
  名称：

  Permethyl Yttrocene 2-Furyl Complexes:  Synthesis and Ring-Opening Reactions of the Furyl Moiety

  摘要：

  Permethyl yttrocene 2-furyl ate-complexes Cp*Y-2(mu-C4H3O)(mu-Cl)Li(THF)(2) (1, Cp* C-5-Me-5) and Cp*Y-2(mu-C4H3O)(2)Li(TMEDA) (2) were obtained by reaction Of Cp*(2)(mu-Cl)(2)Li(OEt2)(2) with 1 and 2 equiv of 2-lithiofuran, respectively. Furan is metalated by (Cp*2YH)2 in hydrocarbon solvents to give the 2-furyl complex Cp*Y-2(eta(2)-C4H3O) (3). With Lewis bases, 3 reacts to give the adducts Cp*Y-2(eta(1)-C4H3O)(L) (L = THF, 4; pyridine), of which 4 was crystallographically characterized. Compound 3 decomposes through deprotonation and ring-opening of the 2-furyl group to give the (crystallographically characterized) bimetallic ynylenolate complex (Cp*Y-2)(2)(mu-OCH=CHCdropC) (5). With excess H-2, 3 is transformed into the crystallographically characterized oxo-complex (Cp*Y-2)(2)(mu-O) (6), free furan, and n-butane. In the presence of a large excess of furan, this reaction stops at the enolate species Cp*(2)-YOCH=CHEt.

  DOI：

  10.1021/om011009s

文献信息

• Deelman, Berth-Jan; Booij, Martin; Meetsma, Auke, Organometallics, 1995, vol. 14, # 5, p. 2306 - 2317
  作者：Deelman, Berth-Jan、Booij, Martin、Meetsma, Auke、Teuben, Jan H.、Kooijman, Huub、Spek, Anthony L.

  DOI：——

  日期：——