(13)C methyl magnesium bromide | 157978-77-3

• 分子结构分类: 有机化合物 - 有机金属化合物
• 英文名称: (13)C methyl magnesium bromide
• CAS: 157978-77-3
• 化学式: CH₃BrMg
• 分子量: 120.233
• InChiKey: AVFUHBJCUUTGCD-GOCMCNPZSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.05
• 重原子数：
  3.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  (13)C methyl magnesium bromide 在 亚磷酸三苯酯 作用下， 以 二丁醚 为溶剂， 以71%的产率得到<13C3>-trimethylphosphine
  参考文献：
  名称：

  Shapiro, Pamela J.; Cotter, W. Donald; Schaefer, William P., Journal of the American Chemical Society, 1994, vol. 116, # 11, p. 4623 - 4640

  摘要：

  DOI：
• 作为产物：
  描述：

  溴甲烷-(13)C 、 magnesium 以 乙醚 、 丙酮 为溶剂， 反应 1.0h， 生成 (13)C methyl magnesium bromide
  参考文献：
  名称：

  WO2006/91885

  摘要：

  公开号：

文献信息

• Synthesis and reactivity of the imidotungsten methyl cation [W(N₂N_py)(NPh)Me]⁺: CO₂adds to the WNPh bond and does not insert into the W–Me bond
  作者：Benjamin D. Ward、Eric Clot、Stuart R. Dubberley、Lutz H. Gade、Philip Mountford

  DOI：10.1039/b208327b

  日期：——

  The imidotungsten dimethyl compound [W(N2Npy)(NPh)Me2] 2 reacts with BArF3 to form the cationic complex [W(N2Npy)(NPh)Me]+ 3+ [anion = [MeBArF3]−; ArF = C6F5; N2Npy = MeC(2-C5H4N)(CH2NSiMe3)2] which undergoes methyl group exchange with added 2, [Cp2ZrMe2] or ZnMe2; treatment of cation 3+ with CO2 or isocyanates leads to cycloaddition reactions at the WNPh bond and not insertion into the W–Me bond, despite the latter product being the most thermodynamically favourable according to DFT calculations.

  亚胺钨二甲基化合物 [W(N2Npy)(NPh)Me2] 2 与 BArF3 反应生成阳离子络合物 [W(N2Npy)(NPh)Me]+ 3+ [阴离子 = [MeBArF3]â； ArF=C6F5； N2Npy = MeC(2-C5H4N)(CH2NSiMe3)2]，其与添加的2、[Cp2ZrMe2]或ZnMe2进行甲基交换；用CO2或异氰酸酯处理阳离子3+会导致WNPh键处的环加成反应，而不是插入W-Me键，尽管根据DFT计算，后一种产物在热力学上是最有利的。
• Intramolecular hydrogen exchange among the coordinated methane fragments of Cp2W(H)CH3. Evidence for the formation of a .sigma. complex of methane prior to elimination
  作者：R. Morris Bullock、Christine E. L. Headford、Karen M. Hennessy、Susan E. Kegley、Jack R. Norton

  DOI：10.1021/ja00193a022

  日期：1989.5
• Synthesis, Characterization, and Polymerization Behavior of Zirconium and Hafnium Complexes that Contain Asymmetric Diamido-N-Donor Ligands
  作者：Zachary J. Tonzetich、Connie C. Lu、Richard R. Schrock、Adam S. Hock、Peter J. Bonitatebus

  DOI：10.1021/om040043e

  日期：2004.9.1

  Two new "NNN" (diamido-N-donor) ligands have been synthesized that contain ethylene/o-phenylene "arms" and a phenyl-substituted amine donor in the central position, [Mesityl-NH-o-C6H4N(Ph)CH(2)CH(2)NHMesityl] (H(2)1) and [t-Bu-d6-NH-o-C6H4N(Ph)CH(2)CH(2)NHMesityl] (H(2)2). The Zr and Hf complexes that have been isolated include [1]MX2 (M = Zr or Hf, X = NMe2, Cl, or Me) and [2]MX2 (M = Zr or Hf, X = NMe2, Cl, Me). The structures of [1]ZrMe2, [2]ZrMe2, and a dimeric species with the formula [MesitylN-o-C(6)H(4)NCH(2)CH(2)NMesityl]Zr-2(NMe2)(5) have been determined in X-ray crystallographic studies. Abstraction of a methyl kgroup in [1]MMe2 (M = Zr or HO with [Ph3C][B(C6F5)(4)] gives rise to cationic complexes that are active initiators for the polymerization of 1-hexene. Similar activation of [2]MMe2 (M = Zr or Hf) gives rise to dimeric monocations that eventually break up and react further to yield cationic monomethyl species. In all cases the poly[1-hexene] produced in the presence of the monometallic cations was found to be atactic.
• The gas phase ion chemistry of the acetyl cation and isomeric [C2H3O]+ ions. On the structure of the [C2H3O]+ daughter ions generated from the enol of acetone radical cation
  作者：Peter C. Burgers、John L. Holmes、Jan E. Szulejko、Alexander A. Mommers、Johan K. Terlouw

  DOI：10.1002/oms.1210180607

  日期：1983.6

  AbstractMethods are described for the unequivocal identification of the acetyl, [CH3\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm C}\limits^\rm + } $\enddocument} O] (a), 1‐hydroxyvinyl, [CH2\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm C}\limits^\rm + } $\enddocument}OH] (b), and oxiranyl, (d), cations. They involve the careful examination of metastable peak intensities and shapes and collision induced processes at very low, high and intermediate collision gas pressures. It will be shown that each [C2H3O]+ ion produces a unique metastable peak for the fragmentation [C2H3O]+ → [CH3]++CO, each appropriately relating to different [C2H3O]+ structures. [CH3\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm C}\limits^\rm + } $\enddocument}O] ions do not interconvert with any of the other [C2H3O]+ ions prior to loss of CO, but deuterium and 13C labelling experiments established that [CH2\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm C}\limits^\rm + } $\enddocument}OH] (b) rearranges via a 1,2‐H shift into energy‐rich leading to the loss of positional identity of the carbon atoms in ions (b). Fragmentation of b to [CH3]++CO has a high activation energy, c. 400 kJ mol−1. On the other hand, , generated at its threshold from a suitable precursor molecule, does not rearrange into [CH2\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm C}\limits^\rm + } $\enddocument}OH], but undergoes a slow isomerization into [CH3\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm C}\limits^\rm + } $\enddocument}O] via [CH2\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm C}\limits^\rm + } $\enddocument}HO]. Interpretation of results rests in part upon recent ab initio calculations.The methods described in this paper permit the identification of reactions that have hitherto lain unsuspected: for example, many of the ionized molecules of type CH3COR examined in this work produce [CH2\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm C}\limits^\rm + } $\enddocument}OH] ions in addition to [CH3\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm C}\limits^\rm + } $\enddocument}O] showing that some enolization takes place prior to fragmentation. Furthermore, ionized ethanol generates a, b and d ions. We have also applied the methods for identification of daughter ions in systems of current interest. The loss of OH˙ from [CH3COOD]+˙ generates only [CH2\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm C}\limits^\rm + } $\enddocument}OD]. Elimination of CH3˙ from the enol of acetone radical cation most probably generates only [CH3\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm C}\limits^\rm + } $\enddocument}O] ions, confirming the earlier proposal for non‐ergodic behaviour of this system. We stress, however, that until all stable isomeric species (such as [CH3\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm O}\limits^\rm + } $\enddocument}C:]) have been experimentally identified, the hypothesis of incompletely randomized energy should be used with reserve.
• CN116554013
  申请人：——

  公开号：——

  公开（公告）日：——