potassium {1,1-(2)H2}but-3-en-1-olate | 138709-62-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 英文名称: potassium {1,1-(2)H2}but-3-en-1-olate
• CAS: 138709-62-3
• 化学式: C₄H₇O*K
• 分子量: 112.181
• InChiKey: LNEMCPBDWGQREO-YLENYTFQSA-N

反应信息

• 作为反应物：
  描述：

  Schwartz's reagent 、 potassium {1,1-(2)H2}but-3-en-1-olate 以 四氢呋喃 为溶剂， 以10%的产率得到{Zr(η5-C5H5)2(OC(2)H2CH2CH(Me))}2
  参考文献：
  名称：

  Preparation, characterization and thermal reactions of 1-oxa-2-ziconacyclopentanes and 1-oxa-2-zirconacyclohexane: crystal structures of [{Zr(C5H5)2(OCH2CH2CHMe)}2] and [Zr(C5Me5)2{OCH2(CH2)2CH2}]

  摘要：

  1-Oxa-2-zirconacyclopentanes [{activated Zr(cp)2(OCH2CHRCH2)}2] (R = H, 3a: or Me, 3b) and [{activated Zr(cp)2(OCH2CH2CHMe)}2] 3c (cp = eta-C5H5) formed from the intramolecular hydrozirconation of [Zr(cp)2H(Cl)] with potassium allyl or homoallyl alcoholates have been characterized as dimeric five-co-ordinated metallocene structures. Complex 3c crystallizes in space group P2(1)/n (Z = 2) with a = 17.090(4), b = 8.345(3), c = 8.841(3) angstrom, beta = 102.90(2)-degrees, and R = 0.039 for 2030 reflections. Monomeric [activated Zr(C5Me5)2(OCH2CH2CH2)] 9 and [activated Zr(C5Me5)2{OCH2(CH2)2CH2}] 12 have been prepared by the reaction of appropriate Grignard reagents with [Zr(C5Me5)2Cl2]. Complex 12 crystallizes in space group Pnn2 (Z = 4) with a = 15.634(2), b = 15.024(3), c = 9.571(1) angstrom, and R = 0.074 for 1336 reflections. Remarkable differences in the thermal stability and modes of decomposition have been observed among these complexes depending on the co-ordination numbers of the zirconium atoms and the size of the metallacycles. The mechanisms of thermal reaction of 3 are discussed on the basis of the product analysis and by use of the deuteriated derivatives.

  DOI：

  10.1039/dt9910002851