2,3-二甲基丁-1-烯溴化镁 | 109929-25-1

• 分子结构分类: 有机化合物 - 有机金属化合物
• 中文名称: 2,3-二甲基丁-1-烯溴化镁
• 英文名称: (2,3,3-trimethylallyl)magnesium bromide
• 英文别名: (1,1,2-trimethylallyl)MgBr
• CAS: 109929-25-1
• 化学式: C₆H₁₁BrMg
• 分子量: 187.362
• InChiKey: QJWRJGSXEPINLL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.78
• 重原子数：
  8.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  2,3-二甲基丁-1-烯溴化镁 、 溴-三(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基)硅烷 以 四氢呋喃 为溶剂， 反应 14.0h， 以94%的产率得到(2,3-dimethylbut-2-enyl)-tris-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
  参考文献：
  名称：

  氟四氧化（F OsO 4）：一种可回收且可重复使用的烯烃二羟基化催化剂

  摘要：

  首先开发了氟催化剂。它已被有效地用作烯烃二羟基化中的可回收和可重复使用的催化剂。

  DOI：

  10.1016/j.tetlet.2003.12.144

文献信息

• Synthesis, Characterization, and Reactions of a Half-Metallocene Benzylidene Complex of Tantalum Bearing 2,3-Dimethyl-1,3-butadiene and Pentamethylcyclopentadienyl Ligands
  作者：Kazushi Mashima、Hirotaka Yonekura、Tsuneaki Yamagata、Kazuhide Tani

  DOI：10.1021/om030313d

  日期：2003.9.1

  half-metallocene benzylidene complex of tantalum, Ta(CHPh)Cp*(η4-supine-2,3-dimethyl-1,3-butadiene) (1), was prepared by treating TaCl2Cp*(η4-supine-2,3-dimethyl-1,3-butadiene) (2) with Mg(CH2Ph)2 in toluene. The structure of 1 was determined by X-ray analysis, indicating the syn rotamer of the TaCHPh moiety; the Ph group points upward toward the Cp* ligand. The coordinatively unsaturated 16-electron

  的半茂金属配合物的亚苄基钽TA（CHPh配合）的Cp *的（η 4 -仰卧-2,3-二甲基-1,3-丁二烯）（1），是通过治疗TACL 2的Cp *（η 4 -仰卧-2,3-二甲基-1,3-丁二烯）（2）和Mg（CH 2 Ph）2在甲苯中。通过X射线分析确定1的结构，表明TA CHPh部分的同位异构体。Ph基团向上指向Cp *配体。配位不饱和的16电子配合物1与某些不饱和有机分子（乙烯，环戊烯和叔丁基）反应-氰化丁基），醇和胺。乙烯和环戊烯的环加成反应生成金属环丁烷。将叔丁基氰化物加到1中可得到亚氨基钽络合物TA（NC（tBU）CHPh配合）的Cp *（η 4 -仰卧-2,3-二甲基-1,3-丁二烯）（6），将其从初生2-氮杂-1- TAnTAlacyclobut -2-烯中间体的易位反应得到的。的质子分解1通过加入甲醇和p -methoxyaniline得到苄基配合物，钽（CH甲氧2 PH）（OCH
• Larson, Erlund J.; Van Dort, Paul C.; Dailey, James S., Organometallics, 1987, vol. 6, # 10, p. 2141 - 2146
  作者：Larson, Erlund J.、Van Dort, Paul C.、Dailey, James S.、Lakanen, John R.、Pederson, Lori M.、Silver, Michael E.、Huffman, John C.、Russo, Steven O.

  DOI：——

  日期：——
• Cyclopentadienyl(allyl)(butadiene)hafnium compounds. Synthesis, crystal structure, and dynamics of cyclopentadienyl(1,2,3-trimethylallyl)(1,2-dimethylbutadiene)hafnium and cyclopentadienyl(1,1,2-trimethylallyl)(2,3-dimethylbutadiene)hafnium
  作者：Thomas J. Prins、Bryan E. Hauger、Peter J. Vance、Michael E. Wemple、David A. Kort、Jonathan P. O'Brien、Michael E. Silver、John C. Huffman

  DOI：10.1021/om00050a033

  日期：1991.4

  The reaction of CpHfCl3.2THF with 2 equiv of (1,2,3-Me3allyl)MgBr or (1,1,2-Me3allyl)MgBr yields Cp(1,2,3-Me3allyl)(1,2-Me2butadiene)Hf (3) or Cp(1,1,2-Me3allyl)(2,3-Me2butadiene)Hf (4). X-ray crystallography of 3 shows that both the allyl and butadiene ligands assume a prone orientation with respect to Cp. For 3: cell constants a = 15.109 (5), b = 7.150 (2), c = 15.587 (6) angstrom, beta = 115.41 (1)degrees; space group P2(1)/c; R = 0.0305, R(w) = 0.0347. Variable-temperature H-1 NMR studies indicate that compound 3 is static on the NMR time scale whereas 4 exists in two isomeric forms and undergoes three separate dynamic processes involving eta-3-eta-1 isomerization at the unsubstituted and substituted ends of the allyl ligand [DELTA-G double-ended-dagger = 39.4 +/- 1.0 kJ/mol and 73.4 +/- 1.0 kJ/mol, respectively] and butadiene flip [DELTA-G double-ended-dagger (avg) = 49.8 +/- 1.0 kJ/mol].
• Hafnium halide compounds of methyl substituted allyl ligands. Synthesis, crystal structure and dynamics of (η5-C5Me5)(η3-1,2,3-Me3allyl)HfBr2 and (η5-C5Me5)(η3-1,1,2-Me3allyl)HfBr2
  作者：Bryan E. Hauger、Peter J. Vance、Thomas J. Prins、Michael E. Wemple、David A. Kort、Michael E. Silver、John C. Huffman

  DOI：10.1016/s0020-1693(00)82981-3

  日期：1991.9

  The reaction of Cp*HfCl3 with (1,2,3-Me3allyl)MgBr or (1,1,2-Me3allyl)MgBr and excess MgBr2 yields Cp*(1,2,3-Me3allyl)HfBr2 and Cp*(1,1,2-Me3allyl)HfBr2. X-ray crystallography of these compounds shows a bent-metallocene-type geometry, with steric congestion in the asymmetrically methylated compound causing the greatest distortion yet observed of an eta-3-allyl ligand towards an eta-1-binding mode for an early-transition metal complex. For Cp*(1,2,3-Me3allyl)HfBr2: cell constants a = 14.581(7), b = 14.725(8), c = 8.291(3) angstrom; space group Pcmn; R = 0.0425, R(w) = 0.0397. For Cp*(1,1,2-Me3allyl)HfBr2: cell constants a = 9.158(2), b = 13.141(4), c = 14.575(3) angstrom, beta = 101.06(2)-degrees; space group P2(1)/n; R = 0.0383, R(w) = 0.0401. A variable temperature H-1 NMR study indicates that the allyl ligand in (1,1,2-Me3allyl)HfBr2 undergoes eta-3-eta-1 isomerization (DELTA-G double-ended dagger(-53-degrees-C) = 40.9 +/- 1 kJ/mol).
• Larson, Erlund J.; Van Dort, Paul C.; Lakanen, John R., Organometallics, 1988, vol. 7, # 5, p. 1183 - 1187
  作者：Larson, Erlund J.、Van Dort, Paul C.、Lakanen, John R.、O'Neill, Daniel W.、Pederson, Lori M.、McCandless, Jill J.、Silver, Michael E.、Russo, Steven O.、Huffman, John C.

  DOI：——

  日期：——