Dimethylaluminiumpropinyl | 68745-19-7

• 分子结构分类: 有机化合物
• 英文名称: Dimethylaluminiumpropinyl
• 英文别名: Dimethylpropinylaluminium；dimethylpropynylaluminium；Aluminum, dimethyl-1-propynyl-；dimethyl(prop-1-ynyl)alumane
• CAS: 68745-19-7
• 化学式: C₅H₉Al
• 分子量: 96.108
• InChiKey: SVLQMIBITZXCGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  di(2-methyl-3-pentyn-2-oxy)tetramethyldialuminium 、 Dimethylaluminiumpropinyl 以 环戊烷 为溶剂， 以0%的产率得到μ-(2-methyl-3-pentyn-2-oxy)-μ-propynyltetramethyldialuminium
  参考文献：
  名称：

  烷基铝化合物：V.二甲基炔基铝与酮的配合物和反应机理

  摘要：

  已经发现二甲基（炔基）铝化合物和二乙醚或丙酮形成2/1配合物，并提出了这些化合物的结构。研究了2/1配合物的形成机理。根据所提出的2/1配合物结构的性质以及所得的混合二聚体Me 2 Al（CCMe）（RO）AlMe 2的性质，提出了修饰的六中心过渡态和重排途径。

  DOI：

  10.1016/0022-328x(85)80240-0
• 作为产物：
  描述：

  二甲基溴化铝 、 丙炔 在 C₄H₉Li 作用下， 以 正己烷 、 正戊烷 为溶剂， 以93%的产率得到Dimethylaluminiumpropinyl
  参考文献：
  名称：

  New Carbaalanes Containing Clusters of Aluminum and Carbon Atoms:  (AlEt)₈(CCH₂C₆H₅)₅H, (AlMe)₈(CCH₂C₆H₅)₅(C⋮C-C₆H₅), and (AlMe)₇(CCH₂CH₃)₄H₂. Quantum Chemical Characterization

  摘要：

  The open carbaalane cluster (AlEt)(7)(C=CHC6H5)(2)(CCH2C6H5)(3)H (2), which was obtained in our group only recently, reacted with an excess of diethylaluminum hydride with hydroalumination of its C=C double bonds and formation of the compound (AlEt)(8)-(CCH2C6H5)(5)H (4). The central cluster of the product comprises a cube of eight Al atoms, five faces of which are occupied by C-benzyl groups; the sixth face is bridged by a hydrogen atom. The carbaalane (AlMe)(8)(CCH2C6H5)(5)(C=CC6H5) (5) was obtained by hydroalumination of Me2AlC=CC6H5 by Me2AlH at 60 degreesC. Its structure is similar to that of 3, but the bridging hydride ligand has been replaced by an ethynyl group, which is coordinated to four Al atoms acid shows a quite unusual C=C stretching vibration of 1956 cm(-1). The first carbaalane possessing only aliphatic substituents, (AlMe)(7)(CCH2CH3)(4)H-2 (6), was obtained by the reaction of Me2AlC=CCH3 with Me2AlH. Its structure contains an Al7C4 cluster, which is quite similar to that of the closo-borate [B11H11](2-) All intense emission of a cluster vibration characteristic for carbaalanes was assigned at about 325 cm(-1) in the Raman spectra. The structure and bonding of arachno-type cluster compounds related to 4 were investigated by quantum chemical calculations. A delocalized multicenter bonding situation was verified with only weak direct Al-Al interactions.

  DOI：

  10.1021/om000244s

文献信息

• New Carbaalanes − (AlMe)8(CCH2Me)5(C≡C−Me) and the THF Adduct (AlMe)8(CCH2Me)5H·2THF
  作者：Werner Uhl、Frank Breher、Alphonse Mbonimana、Jürgen Gauss、Detlev Haase、Arne Lützen、Wolfgang Saak

  DOI：10.1002/1099-0682(200112)2001:12<3059::aid-ejic3059>3.0.co;2-z

  日期：2001.12
• STAROWIEYSKI K. B.; CHRVOJNOWSKI A.; KUSMIEREK Z., J. ORGANOMETAL. CHEM., 1980, 192, NO 2, 147-154
  作者：STAROWIEYSKI K. B.、 CHRVOJNOWSKI A.、 KUSMIEREK Z.

  DOI：——

  日期：——
• STAROWIEYSKI, K. B.;BECALSKA, A., J. ORGANOMET. CHEM., 1984, 269, N 3, 223-229
  作者：STAROWIEYSKI, K. B.、BECALSKA, A.

  DOI：——

  日期：——

表征谱图