镁,二-2-丁烯基- | 16166-78-2

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 中文名称: 镁,二-2-丁烯基-
• 英文名称: sym. Dicrotylmagnesium
• 英文别名: Dicrotylmagnesium
• CAS: 16166-78-2
• 化学式: C₈H₁₄Mg
• 分子量: 134.504
• InChiKey: CPROBFOCSGYSRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.68
• 重原子数：
  9.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  (η-pentamethylcyclopentadienyl)(nitrosyl)dichlorotungsten 、 镁,二-2-丁烯基- 以 四氢呋喃 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis, Characterization, and Some Properties of Cp*W(NO)(H)(η³-allyl) Complexes

  摘要：

  Sequential treatment at low temperatures of Cp*W(NO)Cl-2 in THF with 1 equiv of a binary magnesium allyl reagent, followed by an excess of LiBH4, affords three new Cp*W(NO)(H)(eta(3)-allyl) complexes, namely, Cp*W(NO)(H)(eta(3)-CH2CHCMe2) (1), Cp*W(NO)(H)(eta(3)-CH2CHCHPh) (2), and Cp*W(NO)(H)(eta(3)-CH2CHCHMe) (3). Complexes 1-3 are isolable as air-stable, analytically pure yellow solids in good to moderate yields by chromatography or fractional crystallization. In solutions, complex 1 exists as two coordination isomers in an 83:17 ratio differing with respect to the endo/ exo orientation of the allyl ligand. In contrast, complexes 2 and 3 each exist as four coordination isomers, all differing by the orientation of their allyl ligands which can have either an endo or an exo orientation with the phenyl or methyl groups being either proximal or distal to the nitrosyl ligand. A DFT computational analysis using the major isomer of Cp*W(NO)(H)(eta(3)-CH2CHCHMe) (3a) as the model complex has revealed that its lowest-energy thermal-decomposition pathway involves the intramolecular isomerization of 3a to the 16e eta(2)-alkene complex, Cp*W(NO)(eta(2)center dot CH2=CHCH2Me). Such eta(2)-alkene complexes are isolable as their 18e PMe3 adducts when compounds 1-3 are thermolyzed in neat PMe3, the other organometallic products formed during. these thermolyses being Cp*W(NO)(PMe3)(2) (5) and, occasionally, Cp*W(NO)(H)(eta(1)-allyl)(PMe3). All new complexes have been characterized by conventional spectroscopic and analytical methods, and the solid-state molecular structures of most of them have been established by single-crystal X-ray crystallographic analyses.

  DOI：

  10.1021/acs.inorgchem.5b00747
• 作为产物：
  描述：

  1-溴-2-丁烯 在 magnesium 作用下， 生成 镁,二-2-丁烯基-
  参考文献：
  名称：

  Czernecki,S. et al., Bulletin de la Societe Chimique de France, 1968, p. 3713 - 3719

  摘要：

  DOI：

文献信息

• Magnesium-butadiene addition compounds: Isolation, structural analysis and chemical reactivity
  作者：K. Fujita、Y. Ohnuma、H. Yasuda、H. Tani

  DOI：10.1016/s0022-328x(00)87329-5

  日期：1976.6

  The magnesium-butadiene 1 : 1 (1), 1 : 2 (II) and 1 : 3 addition compounds obtained by the direct metalation of butadiene with metallic magnesium were isolated. These compounds have a polymeric structure. Structural analysis of these compounds by NMR and IR methods was carried out. The process for the formation of II via I and III via II was investigated. The results of protolysis and alkylation of

  分离了通过将丁二烯与金属镁直接金属化而获得的镁-丁二烯1：1（1），1：2（II）和1：3加成化合物。这些化合物具有聚合物结构。通过NMR和IR方法对这些化合物进行结构分析。研究了通过I形成II和通过II形成III的过程。质子迁移和上述镁化合物的烷基化的结果对应良好那些crotylmagnesium化合物。
• Felkin,H. et al., Bulletin de la Societe Chimique de France, 1970, p. 3704 - 3710
  作者：Felkin,H. et al.

  DOI：——

  日期：——
• Influence des interactions de torsion dans les reactions d'addition sur les cyclohexanones. interpretation generale du deroulement sterique des reactions des hydrures ou des organomagnesiens sur les cyclohexanones
  作者：M. Cherest

  DOI：10.1016/s0040-4020(01)83127-6

  日期：——
• CHEREST M., TETRAHEDRON, 1980, 36, NO 11, 1593-8
  作者：CHEREST M.

  DOI：——

  日期：——