(N,N-dimethylaminoxy)trimethylstannane | 231935-32-3

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机过渡后金属化合物
• 英文名称: (N,N-dimethylaminoxy)trimethylstannane
• 英文别名: N-methyl-N-[(trimethylstannyl)oxy]methanamine；N-methyl-N-trimethylstannyloxymethanamine
• CAS: 231935-32-3
• 化学式: C₅H₁₅NOSn
• 分子量: 223.89
• InChiKey: VBPQUDZBDXSUEL-UHFFFAOYSA-N

物化性质

• 熔点：
  -85 °C
• 沸点：
  133.047±23.00 °C(Press: 760.00 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.31
• 重原子数：
  8
• 可旋转键数：
  2
• 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：

  N,N-dimethylhydroxylamine 、 三甲基氯化锡 在 BuLi 作用下， 以 乙醚 为溶剂， 以30%的产率得到(N,N-dimethylaminoxy)trimethylstannane
  参考文献：
  名称：

  Two Successive Steps of Hypercoordination at Tin: The Gas-Phase and Solid-State Structures of (N,N-Dimethylaminoxy)trimethylstannane

  摘要：

  Me3SnONMe2 has been prepared from trimethyltin chloride and O-lithio-N,N-dimethyl-hydroxylamine and characterized by IR and NMR spectroscopy, mass spectrometry, and elemental analysis. Its gas-phase molecular structure has been determined by electron diffraction augmented by restraints taken from ab initio calculations at the MP2/DZ(P) level of theory. A secondary interaction (Sn ... N, 2.731(14) Angstrom) between the tin and nitrogen atoms has been detected and makes Me3SnONMe2 the first partially hypercoordinate tin compound studied in the gas phase. A solid-slate structure of Me3SnONMe2 has been determined by X-ray diffraction of an in situ grown single crystal. In the crystal lattice the coordination sphere of tin is further enlarged by a weak intermolecular Sn ... O contact (2.998(10) Angstrom) and a 4+2 coordination geometry is achieved, which can be deduced from that of a: distorted trigonal bipyramid with one of the axial substituents replaced by the two weak contacts. Important geometry parameter values are as follows (gas/solid): Sn-O 2.006(3)/2.063(6) Angstrom, O-N 1.468(6)/1.440(9) Angstrom, Sn-C(in plane) 2.148(4)/2.163(14) Angstrom, Sn-C(out of plane) 2.146(3)/2.062(9) and 2.185(10) Angstrom, Sn-O-N 102.5(8)/102.5(4)degrees, O-Sn-C(in plane) 99.6(10)/99.7(4)degrees, O-Sn-C(out of plane) 108.1(6)/119.6(4)degrees and 116.6(4)degrees.

  DOI：

  10.1021/om990219q