Zinc, bis(1,1,3,3,5,5-hexamethyl-1,3,5-trisilacyclohex-2-yl)- | 147526-31-6

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: Zinc, bis(1,1,3,3,5,5-hexamethyl-1,3,5-trisilacyclohex-2-yl)-
• 英文别名: bis{2,2,4,4,6,6-hexamethyl-2,4,6-trisila-cyclo-hexyl}zinc
• CAS: 147526-31-6
• 化学式: C₁₈H₄₆Si₆Zn
• 分子量: 496.466
• InChiKey: KHIODEQCDAYFQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.24
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• 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：

  2,2'-联吡啶 、 Zinc, bis(1,1,3,3,5,5-hexamethyl-1,3,5-trisilacyclohex-2-yl)- 以 正戊烷 为溶剂， 生成 2,2'bipyridyl-bis{2,2,4,4,6,6-hexamethyl-2,4,6-trisila-cyclo-hexyl}zinc
  参考文献：
  名称：

  Bis[2,2,4,4,6,6-hexamethyl-2,4,6-trisila-cyclo-hexyl]zink und sein 2,2 Bipyridyl-Addukt - spektroskopische Charakterisierung und Struktur

  摘要：

  The alpha-CHSi2 group of bis[2,2,4,4,6,6-hexamethyl-2,4,6-trisila-cyclo-hexyl]zinc, prepared by the metathesis reaction of the corresponding lithium alkanide and zinc(II) chloride, shows a remarkable low field shift of 13 ppm in the C-13-NMR spectrum. The small 1J(C-13-H-1) and 1J(C-13-Si-29) coupling constants with values of 105 and 40 Hz can be attributed to the flattening of the coordination sphere of this carbon atom, bonded to the metal center. The X-ray structure reveals with Zn-C-Si- and Si-C-Si-angles of 110-degrees and 117-degrees, respectively, the planarisation of the alpha-C-atom. The molecules of this compound, which crystallize from n-pentane in the monoclinic space group P2(1)/n with a = 663,9(1), b = 1350,8(2), c = 1624,5(2) pm, beta = 98,22(l)degrees and Z = 2, show a crystallographically enforced linear CZnC-moiety with Zn-C bond lengths of nearly 194 pm. The complexation of 2,2'-bipyridine to this compound leads to a strong high field shift of the a-carbon atom of approximately 8 ppm.

  DOI：

  10.1016/0022-328x(93)80005-v
• 作为产物：
  描述：

  甲基环硅氧烷 、 zinc(II) chloride 在 n-C₄H₉Li 、 1,2-bis(dimethylamino)ethane 作用下， 以 正己烷 、 正戊烷 为溶剂， 以59%的产率得到Zinc, bis(1,1,3,3,5,5-hexamethyl-1,3,5-trisilacyclohex-2-yl)-
  参考文献：
  名称：

  Bis[2,2,4,4,6,6-hexamethyl-2,4,6-trisila-cyclo-hexyl]zink und sein 2,2 Bipyridyl-Addukt - spektroskopische Charakterisierung und Struktur

  摘要：

  The alpha-CHSi2 group of bis[2,2,4,4,6,6-hexamethyl-2,4,6-trisila-cyclo-hexyl]zinc, prepared by the metathesis reaction of the corresponding lithium alkanide and zinc(II) chloride, shows a remarkable low field shift of 13 ppm in the C-13-NMR spectrum. The small 1J(C-13-H-1) and 1J(C-13-Si-29) coupling constants with values of 105 and 40 Hz can be attributed to the flattening of the coordination sphere of this carbon atom, bonded to the metal center. The X-ray structure reveals with Zn-C-Si- and Si-C-Si-angles of 110-degrees and 117-degrees, respectively, the planarisation of the alpha-C-atom. The molecules of this compound, which crystallize from n-pentane in the monoclinic space group P2(1)/n with a = 663,9(1), b = 1350,8(2), c = 1624,5(2) pm, beta = 98,22(l)degrees and Z = 2, show a crystallographically enforced linear CZnC-moiety with Zn-C bond lengths of nearly 194 pm. The complexation of 2,2'-bipyridine to this compound leads to a strong high field shift of the a-carbon atom of approximately 8 ppm.

  DOI：

  10.1016/0022-328x(93)80005-v