potassium 1-methylpentadienide | 74206-01-2

• 英文名称: potassium 1-methylpentadienide
• CAS: 74206-01-2
• 化学式: C₆H₉K
• 分子量: 120.236
• InChiKey: YFEYOGLLCXEXMF-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：

  chloro(pentamethylcyclopentadienyl)ruthenium(II) tetramer 、 potassium 1-methylpentadienide 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Half-open ruthenocenes derived from [Ru(C5Me5)Cl]4: syntheses, characterizations, and solid-state structures

  摘要：

  A variety of half-open ruthenocenes of the general formula Ru(C5Me5)(Pdl) have been prepared from [Ru(C5Me5)Cl]4. For C5H7 or alkylated or arylated pentadienyl groups (1-, 2-, or 3-C6H9; 2,3-C7H11; 2,4-C7H11; 1,5-(C6H5)2C5H5), their introductions were brought about by using their potassium salts. For the oxo dienyl analogues 2,4-OC6H9 or 3,5-OC6H9, the respective enone or enal could be utilized, which underwent deprotonation upon coordination in the presence of K2CO3. With HPdl = 2,4-(CF3)2C5H6, coordination is accompanied by the spontaneous elimination of HCl, yielding Ru(C5Me5)[2,4-(CF3)2C5H5]. A similar reaction led to Ru(C5Me4Et)[2,4-(CF3)2C5H5]. In addition to various spectroscopic studies, structural studies were carried out on the Pdl = 3-C6H9 and 3,5-OC6H9 complexes, as well as for Ru(C5Me4Et)[2,4-(CF3)2C5H5]. For the Pdl = 3-C6H9 complex, the space group is P2(1)/m with a = 7.598 (1) angstrom, b = 13.246 (2) angstrom, c = 7.526 (1) angstrom, beta = 96.429 (4)-degrees, and V = 752.7 angstrom 3 for Z = 2. For the oxo dienyl compound, the space group is P2(1)2(1)2(1), with a = 10.651 (2) angstrom, b = 11.925 (1) angstrom, c = 11.987 (2) angstrom, and V = 1522.4 angstrom 3 for Z = 4. For the 2,4-(CF3)2C5H5 compound, the space group is Cmc2(1) with a = 15.324 (3) angstrom, b = 8.785 (2) angstrom, c = 13.726 (2) angstrom, and V = 1847.8 angstrom 3 for Z = 4. The structures were refined to respective R (and R(w)) values of 0.026 (0.030), 0.034 (0.035), and 0.028 (0.031).

  DOI：

  10.1021/om00040a045

文献信息

• Chemistry of Dienyl Anions. II. Crystalline Bis(dienyl)magnesium. Selective Dienylation and Structure in Solution and in the Solid State
  作者：Hajime Yasuda、Michihide Yamauchi、Akira Nakamura、Tsuyoshi Sei、Yasushi Kai、Noritake Yasuoka、Nobutami Kasai

  DOI：10.1246/bcsj.53.1089

  日期：1980.4

  Seven different crystalline bis(dienyl)magnesium·TMEDA complexes of open chain or cyclic structure were prepared by metal exchange reaction of corresponding potassium dienides. They are fluxional in solution due to the rapid 1,3-rearrangement. Terminally σ-bonded trans or (E) structure exists primarily in the open chain complexes while centrally σ-bonded cis structure in cyclic dienylmagnesium·TMEDA

  通过相应的二烯化钾的金属交换反应，制备了7种不同结晶的双（二烯基）镁·TMEDA配合物，具有开链或环状结构。由于快速的 1,3-重排，它们在溶液中是流动的。末端σ键的反式或（E）结构主要存在于开链配合物中，而中心σ键的顺式结构主要存在于环状二烯基镁·TMEDA配合物中。前者仅产生 1,3-二烯，而后者水解后产生 1,4-二烯。通过X射线晶体学确定的双(2,4-二甲基-2,4-戊二烯基)镁的分子结构表明它具有末端σ键结构。将二烯基镁化合物加成到丙酮中，然后水解产生区域选择性的 1,4-二烯衍生物，而加成到二异丙基酮中则选择性地产生 1,3-二烯衍生物。通过环醚配合物的热裂解合成了具有延长碳链的不饱和醇。1,3,7-三烯可以通过适当的反应选择性地获得...
• Chemistry of Dienyl Anions. III. Crystalline Bis(2,4-pentadienyl)metal Compounds of Be and Zn. Terminally σ-Bonded Structure and Fluxional 1,5-Rearrangement
  作者：Hajime Yasuda、Yasuo Ohnuma、Akira Nakamura、Yasushi Kai、Noritake Yasuoka、Nobutami Kasai

  DOI：10.1246/bcsj.53.1101

  日期：1980.4

  series of bis(dienyl)beryllium and bis(dienyl)zinc compounds were prepared by metal exchange reaction from seven different dienyl anions and were isolated as crystals of TMEDA complexes. Bis(dienyl)beryllium compounds of open chain structure obtained from pentadienyl, 2-methylpentadienyl, and 3-methylpentadienyl anions assume the terminally σ-bonded (E)-2,4-pentadienyl structure in solution as evidenced

  通过金属交换反应从七种不同的二烯基阴离子制备了一系列双（二烯基）铍和双（二烯基）锌化合物，并以 TMEDA 配合物的晶体形式分离出来。从戊二烯基、2-甲基戊二烯基和 3-甲基戊二烯基阴离子获得的开链结构的双（二烯基）铍化合物在溶液中呈现末端 σ 键合的 (E)-2,4-戊二烯基结构，如 1H-NMR 和 13C-核磁共振谱。这些化合物的水解区域选择性地得到 1,4-二烯。相应的双（二烯基）锌化合物以末端 σ 键结构的 (Z)、(E) 混合物形式存在。戊二烯基氯化锌·TMEDA复合物的X射线分析表明，它具有末端σ键合的(E)-2,4-戊二烯基结构，具有s-反式构象。双(2,
• Carbonyl and phosphine adducts of open titanocenes and open vanadocenes: syntheses, spectroscopic studies, and solid-state structures
  作者：Timothy D. Newbound、Arnold L. Rheingold、Richard D. Ernst

  DOI：10.1021/om00040a046

  日期：1992.4

  The syntheses of a variety of 17-electron open vanadocene adducts are reported, incorporating a variety of pentadienyl (Pdl = C5H7, 1-, 2-, or 3-C6H9, 2,3-C7H11, 2,4-C7H11) and additional ligands (CO, dmpe, PX3; X = F, OCH3, CH3, C2H5). Also prepared for comparison are the carbonyl adducts of Ti(C5H7)2 and Ti(3-C6H9)2. Spectroscopic and structural data are in accord with the adoption of symmetric syn-eclipsed structures in all cases. Single-crystal structure determinations have been carried out for several V(Pdl)2CO complexes. For Pdl = 1-C6H9, the space group is P42(1)cBAR, with a = b = 19.173 (8) angstrom, c = 6.753 (2) angstrom, and Z = 8. For Pdl = 2,4-C7H11, the space group is P2(1)2(1)2(1), with a = 9.933 (6), b = 10.013 (5), and c = 14.612 (7) angstrom for Z = 4, while, for Pdl = 3-C6H9, the space group is Pbca, with a = 11.179 (4), b = 14.016 (5), and c = 15.797 (5) angstrom for Z = 8. A variety of infrared and ESR spectral studies have been carried out to help probe the electronic natures of these compounds.