O-methyl-N,N-disilylhydroxylamine

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: O-methyl-N,N-disilylhydroxylamine
• 英文别名: (Disilylamino)oxymethane；(disilylamino)oxymethane
• 化学式: CH₉NOSi₂
• 分子量: 107.26
• InChiKey: WMAQCQZIXWIBCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.59
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氯苯甲酰乙腈 在 2,6-二甲基吡啶 、 溴硅 作用下， 反应 1.0h， 生成 O-methyl-N,N-disilylhydroxylamine
  参考文献：
  名称：

  The Pyramidal Si₂N−O Skeleton of O-Methyl-N,N-disilylhydroxylamine:  An Inherent Phenomenon As Confirmed by Structural Studies in Different Phases

  摘要：

  O-Methyl-N,N-disilylhydroxylamine, (H3Si)(2)NOCH3 (1), has been prepared by the reaction of bromosilane with O-methylhydroxylamine in the presence of 2,6-lutidine. The compound has been found to be reasonably stable at ambient temperature, but explodes if heated to 200 degrees C. 1 has been completely characterized by MS, HRMS, IR in the solid state and gas phase, and NMR spectra of the nuclei H-1, C-13, N-14/15, O-17, and Si-29. The NMR chemical shifts are compared with those of Si-methylated derivatives and with values obtained in high-level ab initio calculations. It has been concluded that there is close similarity between the structure in solution and the calculated one. A single crystal of 1 grown in situ and studied by X-ray diffraction is orthorhombic, space group P2(1)2(1)2(1), a = 6.3664(11) Angstrom, b = 8.488(2) Angstrom, c = 11.783(4) Angstrom, rho(calc) = 1.119 g cm(-1), Z = 4. Intermolecular Si ... O interactions (2.92 Angstrom) are found in the solid state structure leading to a zigzag type aggregation of the molecules. The gas phase structure of 1 has been determined by electron diffraction showing the molecule to have C-S symmetry. In both phases, the crystalline and the gas phase, the nitrogen atom configuration of 1 is pyramidal [

  DOI：

  10.1021/ja953760w

文献信息

• The Pyramidal Si₂N−O Skeleton of <i>O</i>-Methyl-<i>N</i>,<i>N</i>-disilylhydroxylamine:  An Inherent Phenomenon As Confirmed by Structural Studies in Different Phases
  作者：Norbert W. Mitzel、Esther Breuning、Alexander J. Blake、Heather E. Robertson、Bruce A. Smart、David W. H. Rankin

  DOI：10.1021/ja953760w

  日期：1996.1.1

  O-Methyl-N,N-disilylhydroxylamine, (H3Si)(2)NOCH3 (1), has been prepared by the reaction of bromosilane with O-methylhydroxylamine in the presence of 2,6-lutidine. The compound has been found to be reasonably stable at ambient temperature, but explodes if heated to 200 degrees C. 1 has been completely characterized by MS, HRMS, IR in the solid state and gas phase, and NMR spectra of the nuclei H-1, C-13, N-14/15, O-17, and Si-29. The NMR chemical shifts are compared with those of Si-methylated derivatives and with values obtained in high-level ab initio calculations. It has been concluded that there is close similarity between the structure in solution and the calculated one. A single crystal of 1 grown in situ and studied by X-ray diffraction is orthorhombic, space group P2(1)2(1)2(1), a = 6.3664(11) Angstrom, b = 8.488(2) Angstrom, c = 11.783(4) Angstrom, rho(calc) = 1.119 g cm(-1), Z = 4. Intermolecular Si ... O interactions (2.92 Angstrom) are found in the solid state structure leading to a zigzag type aggregation of the molecules. The gas phase structure of 1 has been determined by electron diffraction showing the molecule to have C-S symmetry. In both phases, the crystalline and the gas phase, the nitrogen atom configuration of 1 is pyramidal [