bis(3,5-di-tert-butyl-2-oxophenyl)oxamido-bis(dimethylsilane)

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: bis(3,5-di-tert-butyl-2-oxophenyl)oxamido-bis(dimethylsilane)
• 英文别名: 1,2-Bis(5,7-ditert-butyl-2,2-dimethyl-1,3,2-benzoxazasilol-3-yl)ethane-1,2-dione；1,2-bis(5,7-ditert-butyl-2,2-dimethyl-1,3,2-benzoxazasilol-3-yl)ethane-1,2-dione
• 化学式: C₃₄H₅₂N₂O₄Si₂
• 分子量: 608.969
• InChiKey: FPFMNTACNHRYAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.43
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  bis-(3,5-di-tert-butyl-2-phenol)-oxamide 、 二氯二甲基硅烷 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 19.0h， 以92%的产率得到bis(3,5-di-tert-butyl-2-oxophenyl)oxamido-bis(dimethylsilane)
  参考文献：
  名称：

  Hypervalent and binuclear silicon and germanium derivatives from bis-(3,5-di-tert-butyl-2-phenol)-oxamide

  摘要：

  The reactions of bis-(3,5-di-tert-butyl-2-phenol)oxamide (1) with Cl2SiR2 (Me or Ph) or Cl2GeR2 (Me, nBu or Ph) in THF provided binuclear pentacoordinated silicon and germanium compounds: bis-(3,5-di-tert-butyl-2-oxo-phenyl)-oxamido-bis-dimethylsilane (2), his(3,5-di-tert-butyl-2-oxo-phenyl)-oxamido-bis-diphenylsilane (3), bis-(3,5-di-tert-butyl-2-oxo-phenyl)-oxamido-bis-dimethylgermane (4), bis-(3,5-di-tert-butyl-2-oxo-phenyl)-oxamido-bis-di-n-butylgermane (5) and bis-(3,5-di-tert-butyl-2-oxo-phenyl)-oxamido-bis-diphenylgermane (6). The mono-nuclear tetracoordinated silicon compounds N-acetyl-bis-(3,5-di-tert-butyl-2-oxo-phenyl)-amide-bis-(dimethylsilane) (8) and N-acetyl-bis-(3,5-di-tert-butyl-2-oxo-phenyl)-amide-bis-(diphenylsilane) (9) were synthesized from N-(3,5-di-tert-butyl-2-phenol)acetamide (7) and Cl2SiR2 (R = Me and Ph). Comparison of the Si-29 NMR chemical shifts of the penta- (2 and 3) and tetracoordinated (8 and 9) silicon compounds provided information about the intramolecular coordination of the carbonyl group to the silicon atom. Compounds 3 and 6 were characterized by single-crystal X-ray analyses. They have planar hexacyclic structures where the central atoms present distorted tbp geometries with one nitrogen and two carbon atoms in equatorial positions and two oxygen atoms in apical positions. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.08.042

文献信息

• Hypervalent and binuclear silicon and germanium derivatives from bis-(3,5-di-tert-butyl-2-phenol)-oxamide
  作者：Víctor M. Jiménez-Pérez、Carlos Camacho-Camacho、Ángel Ramos-Organillo、Raúl Ramírez-Trejo、Adrián Peña-Hueso、Rosalinda Contreras、Angelina Flores-Parra

  DOI：10.1016/j.jorganchem.2007.08.042

  日期：2007.12

  The reactions of bis-(3,5-di-tert-butyl-2-phenol)oxamide (1) with Cl2SiR2 (Me or Ph) or Cl2GeR2 (Me, nBu or Ph) in THF provided binuclear pentacoordinated silicon and germanium compounds: bis-(3,5-di-tert-butyl-2-oxo-phenyl)-oxamido-bis-dimethylsilane (2), his(3,5-di-tert-butyl-2-oxo-phenyl)-oxamido-bis-diphenylsilane (3), bis-(3,5-di-tert-butyl-2-oxo-phenyl)-oxamido-bis-dimethylgermane (4), bis-(3,5-di-tert-butyl-2-oxo-phenyl)-oxamido-bis-di-n-butylgermane (5) and bis-(3,5-di-tert-butyl-2-oxo-phenyl)-oxamido-bis-diphenylgermane (6). The mono-nuclear tetracoordinated silicon compounds N-acetyl-bis-(3,5-di-tert-butyl-2-oxo-phenyl)-amide-bis-(dimethylsilane) (8) and N-acetyl-bis-(3,5-di-tert-butyl-2-oxo-phenyl)-amide-bis-(diphenylsilane) (9) were synthesized from N-(3,5-di-tert-butyl-2-phenol)acetamide (7) and Cl2SiR2 (R = Me and Ph). Comparison of the Si-29 NMR chemical shifts of the penta- (2 and 3) and tetracoordinated (8 and 9) silicon compounds provided information about the intramolecular coordination of the carbonyl group to the silicon atom. Compounds 3 and 6 were characterized by single-crystal X-ray analyses. They have planar hexacyclic structures where the central atoms present distorted tbp geometries with one nitrogen and two carbon atoms in equatorial positions and two oxygen atoms in apical positions. (C) 2007 Elsevier B.V. All rights reserved.