2-methoxy-1,3,2-dioxarsolane | 58669-55-9

• 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: 2-methoxy-1,3,2-dioxarsolane
• 英文别名: 2-methoxy-[1,3,2]dioxarsolane；arsenous acid ethanediyl ester-methyl ester；Arsenigsaeure-aethandiylester-methylester；2-Methoxy-[1,3,2]dioxarsolan；2-Methoxy-(1,3,2)-dioxarsolan；ethylene methyl arsenite；2-Methoxy-1,3,2-dioxarsolane
• CAS: 58669-55-9
• 化学式: C₃H₇AsO₃
• 分子量: 166.008
• InChiKey: DSGLFNLDOGVBAX-UHFFFAOYSA-N

物化性质

• 沸点：
  50-51 °C(Press: 11 Torr)
• 密度：
  1.6123 g/cm3(Temp: 0 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.34
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲醇 、 2-chloro-[1,3,2]dioxarsolane 在 三乙胺 作用下， 以 乙醚 为溶剂， 生成 2-methoxy-1,3,2-dioxarsolane
  参考文献：
  名称：

  1H and13C NMR studies on 1,3,2-dioxarsolanes

  摘要：

  AbstractThe 1H and 13C NMR spectra of a series of 1,3,2‐dioxarsolanes have been obtained at 2.1 T and some at 9.4 T. The chemical shifts and spin‐spin coupling constants have been obtained from complete spectral analyses of the 1H and proton‐coupled 13C spectra. The spectral data are interpreted on the basis of two rapidly interconverting half‐chair conformers with a pseudoaxial substituent at arsenic. Unique assignment of syn/anti or cis/trans geometries have been made from 1H or 13C NMR spectroscopy alone. The syn and trans isomers of the 4‐methyl‐ and 4,5‐dimethyl‐1,3,2‐dioxarsolanes, respectively, appear to be conformationally biased towards the forms with pseudoequatorial methyl groups. The general trends in the geminal and vicinal 1H1H and 13C1H coupling constants are interpreted in terms of stereospecific, electronegativity and lone‐pair effects of the oxygen heteroatoms and conformational factors. The NMR data on the 1,3,2‐dioxarsolanes are discussed with reference to related 1,3‐dithoxa‐ and 1,3‐dithia‐ five‐membered rings with As, P, S or C at the 2‐position.

  DOI：

  10.1002/omr.1270210704

文献信息

• Kamai; Chisanowa, Zhurnal Obshchei Khimii, 1953, vol. 23, p. 1323,1327; engl. Ausg. S. 1387, 1390
  作者：Kamai、Chisanowa

  DOI：——

  日期：——
• 1H and13C NMR studies on 1,3,2-dioxarsolanes
  作者：D. W. Aksnes、A. Lie

  DOI：10.1002/omr.1270210704

  日期：1983.7

  AbstractThe 1H and 13C NMR spectra of a series of 1,3,2‐dioxarsolanes have been obtained at 2.1 T and some at 9.4 T. The chemical shifts and spin‐spin coupling constants have been obtained from complete spectral analyses of the 1H and proton‐coupled 13C spectra. The spectral data are interpreted on the basis of two rapidly interconverting half‐chair conformers with a pseudoaxial substituent at arsenic. Unique assignment of syn/anti or cis/trans geometries have been made from 1H or 13C NMR spectroscopy alone. The syn and trans isomers of the 4‐methyl‐ and 4,5‐dimethyl‐1,3,2‐dioxarsolanes, respectively, appear to be conformationally biased towards the forms with pseudoequatorial methyl groups. The general trends in the geminal and vicinal 1H1H and 13C1H coupling constants are interpreted in terms of stereospecific, electronegativity and lone‐pair effects of the oxygen heteroatoms and conformational factors. The NMR data on the 1,3,2‐dioxarsolanes are discussed with reference to related 1,3‐dithoxa‐ and 1,3‐dithia‐ five‐membered rings with As, P, S or C at the 2‐position.