Bis[[2,6-bis(2,4,6-trimethylphenyl)phenyl]sulfanyl]-dibromosilane | 1370552-12-7

• 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: Bis[[2,6-bis(2,4,6-trimethylphenyl)phenyl]sulfanyl]-dibromosilane
• 英文别名: bis[[2,6-bis(2,4,6-trimethylphenyl)phenyl]sulfanyl]-dibromosilane
• CAS: 1370552-12-7
• 化学式: C₄₈H₅₀Br₂S₂Si
• 分子量: 878.951
• InChiKey: CVZCQDCQKCBMPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.17
• 重原子数：
  53
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Bis[[2,6-bis(2,4,6-trimethylphenyl)phenyl]sulfanyl]-dibromosilane 在 (^MesNacNacMg)2 作用下， 以 甲苯 为溶剂， 以50.9%的产率得到[[2,6-Bis(2,4,6-trimethylphenyl)phenyl]-lambda4-sulfanylidyne]-[2,6-bis(2,4,6-trimethylphenyl)phenyl]sulfanylsilane
  参考文献：
  名称：

  Isolation of a Stable, Acyclic, Two-Coordinate Silylene

  摘要：

  The synthesis and characterization of a stable, acyclic two-coordinate silylene, Si(SArMe6)(2) [Ar-Me6 = C6H3-2,6(C6H2-2,4,6-Me-3)(2)], by reduction of Br2Si(SArMe6) 2 with a magnesium(I) reductant is described. It features a V-shaped silicon coordination with a S-Si-S angle of 90.52(2)degrees and an average Si-S distance of 2.158(3) angstrom. Although it reacts readily with an alkyl halide, it does not react with hydrogen under ambient conditions, probably as a result of the ca. 4.3 eV energy difference between the frontier silicon lone pair and 3p orbitals.

  DOI：

  10.1021/ja301091v
• 作为产物：
  描述：

  lithium 2,6-dimesitylphenyl thiolate 在 溴化硅(IV) 作用下， 以 乙醚 为溶剂， 反应 48.5h， 以52.7%的产率得到Bis[[2,6-bis(2,4,6-trimethylphenyl)phenyl]sulfanyl]-dibromosilane
  参考文献：
  名称：

  Isolation of a Stable, Acyclic, Two-Coordinate Silylene

  摘要：

  The synthesis and characterization of a stable, acyclic two-coordinate silylene, Si(SArMe6)(2) [Ar-Me6 = C6H3-2,6(C6H2-2,4,6-Me-3)(2)], by reduction of Br2Si(SArMe6) 2 with a magnesium(I) reductant is described. It features a V-shaped silicon coordination with a S-Si-S angle of 90.52(2)degrees and an average Si-S distance of 2.158(3) angstrom. Although it reacts readily with an alkyl halide, it does not react with hydrogen under ambient conditions, probably as a result of the ca. 4.3 eV energy difference between the frontier silicon lone pair and 3p orbitals.

  DOI：

  10.1021/ja301091v

文献信息

• Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si–Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles
  作者：Brian D. Rekken、Thomas M. Brown、James C. Fettinger、Felicitas Lips、Heikki M. Tuononen、Rolfe H. Herber、Philip P. Power

  DOI：10.1021/ja403802a

  日期：2013.7.10

  The synthesis and spectroscopic and structural characterization of an extensive series of acyclic, monomeric tetrylene dichalcogenolates of formula M(ChAr)2 (M = Si, Ge, Sn, Pb; Ch = O, S, or Se; Ar = bulky m-terphenyl ligand, including two new acyclic silylenes) are described. They were found to possess several unusual features-the most notable of which is their strong tendency to display acute interligand

  式 M(ChAr)2（M = Si、Ge、Sn、Pb；Ch = O、S 或 Se；Ar = 大三联苯配体，包括两个新的无环亚甲硅烷）进行了描述。发现它们具有几个不寻常的特征——其中最显着的是它们强烈倾向于显示锐角配位体，Ch-M-Ch，键角通常远低于 90°。此外，与正常的立体预期相反，发现配体间的角度随着配体尺寸的增加而变窄。实验和结构数据与高级 DFT 计算相结合，包括对色散效应的校正，得出的结论是色散力在稳定它们的锐角配位方面起着重要作用。
• Isolation of a Stable, Acyclic, Two-Coordinate Silylene
  作者：Brian D. Rekken、Thomas M. Brown、James C. Fettinger、Heikki M. Tuononen、Philip P. Power

  DOI：10.1021/ja301091v

  日期：2012.4.18

  The synthesis and characterization of a stable, acyclic two-coordinate silylene, Si(SArMe6)(2) [Ar-Me6 = C6H3-2,6(C6H2-2,4,6-Me-3)(2)], by reduction of Br2Si(SArMe6) 2 with a magnesium(I) reductant is described. It features a V-shaped silicon coordination with a S-Si-S angle of 90.52(2)degrees and an average Si-S distance of 2.158(3) angstrom. Although it reacts readily with an alkyl halide, it does not react with hydrogen under ambient conditions, probably as a result of the ca. 4.3 eV energy difference between the frontier silicon lone pair and 3p orbitals.