2-ethyltrimethylstannylbenzene | 55204-74-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-ethyltrimethylstannylbenzene
• 英文别名: (2-Ethylphenyl)(trimethyl)stannane；(2-ethylphenyl)-trimethylstannane
• CAS: 55204-74-5
• 化学式: C₁₁H₁₈Sn
• 分子量: 268.974
• InChiKey: KLRJMRPNVJVIBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.79
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  2-ethyltrimethylstannylbenzene 以100%的产率得到
  参考文献：
  名称：

  NEUMANN, WILHELM P.;HILLGARTNER, HORST;BAINES, KIM M.;DICKE, RITA;VORSPOH+, TETRAHEDRON, 45,(1989) N, C. 951-960

  摘要：

  DOI：

文献信息

• Amine- and Ether-Chelated Aryllithium ReagentsStructure and Dynamics
  作者：Hans J. Reich、Wayne S. Goldenberg、Aaron W. Sanders、Kevin L. Jantzi、C. Christoph Tzschucke

  DOI：10.1021/ja028301r

  日期：2003.3.1

  Chelation and aggregation in phenyllithium reagents with potential 6- and 7-ring chelating amine (2, 3) and 5-, 6-, and 7-ring chelating ether (4, 5, 6) ortho substituents have been examined utilizing variable temperature Li-6 and C-13 NMR spectroscopy, Li-6 and N-15 isotope labeling, and the effects of solvent additives. The 5- and 6-ring ether chelates (4, 5) compete well with THF, but the 6-ring amine chelate (2) barely does, and 7-ring amine chelate (3) does not. Compared to model compounds (e.g., 2-ethylphenyllithium 7), which are largely monomeric in THF, the chelated compounds all show enhanced dimerization (as measured by K=[D]/[M](2)) by factors ranging from 40 (for 6) to more than 200 000 (for 4 and 5). Chelation isomers are seen for the dimers of 5 and 6, but a chelate structure could be assigned only for 2-(2-dimethylaminoethyl)phenyllithium (2), which has an A-type structure (both amino groups chelated to the same lithium in the dimer) based on NMR coupling in the N-15, Li-6 labeled compound. Unlike the dimer, the monomer of 2 is not detectably chelated. With the exception of 2-(methoxymethyl)phenyl lithium (4), which forms an open dimer (12) and a pentacoordinate monomer (13), the lithium reagents all form monomeric nonchelated adducts with PMDTA.
• NEUMANN, WILHELM P.;HILLGARTNER, HORST;BAINES, KIM M.;DICKE, RITA;VORSPOH+, TETRAHEDRON, 45,(1989) N, C. 951-960
  作者：NEUMANN, WILHELM P.、HILLGARTNER, HORST、BAINES, KIM M.、DICKE, RITA、VORSPOH+

  DOI：——

  日期：——