methyl (E)-3-(tert-butylselanyl)acrylate | 1240924-06-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl (E)-3-(tert-butylselanyl)acrylate
• CAS: 1240924-06-4
• 化学式: C₈H₁₄O₂Se
• 分子量: 221.158
• InChiKey: AMQYXELJFKPNIW-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  tert-butyl selenol 、 丙炔酸甲酯 反应 5.0h， 生成 methyl (Z)-3-(tert-butylselanyl)acrylate 、 methyl (E)-3-(tert-butylselanyl)acrylate
  参考文献：
  名称：

  Syntheses of Selenolato-Bridged Dinuclear Hydridoplatinum Complexes [Pt₂H₂(μ-Se^tBu)₂(PPh₃)₂] and [Pt₂H(Se^tBu)(μ-Se^tBu)₂(PPh₃)₂]: Unusual Thermal Reaction of Hydrido(1,1-Dimethylethaneselenolato) Platinum Complex cis-[PtH(Se^tBu)(PPh₃)₂]

  摘要：

  Novel selenolato-bridged dinuclear hydridoplatinum complexes, cis-[Pt2H2(mu-(SeBu)-Bu-t)(2)(PPh3)(2)] (2) and cis-[Pt2H((SeBu)-Bu-t)(mu-(SeBu)-Bu-t)(2)(PPh3)(2)] (3) were synthesized in 30% and 57% yields, respectively, by the themiolysis of hydrido(1,1-dimethylethaneselenolato) Pt(II) complex cis-[PtH((SeBu)-Bu-t)(PPh3)(2)] (1) in toluene at 80 degrees C for 3 h. The structures of dinuclear complexes 2 and 3 were fully characterized on the basis of their NMR and IR spectroscopic data and X-ray crystallography. The two distorted square planar Pt atoms in 2 and 3 are held together by two bridged selenolato ligands, Bu-t groups of which adopt a trans configuration with respect to the four-membered Pt2Se2 ring. Each central Pt2Se2 ring in 2 and 3 has a hinged arrangement due to the steric repulsion among the two PPh3 ligands and the Bu-t group lying between them.

  DOI：

  10.1021/ic1011742