cyclo-1,2,4-trioxa-3,5-diborane | 4145-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: cyclo-1,2,4-trioxa-3,5-diborane
• 英文别名: trioxadiborole；oxydiborine；1,2,4,3,5-Trioxadiborolane
• CAS: 4145-40-8
• 化学式: B₂H₂O₃
• 分子量: 71.6361
• InChiKey: OQPNKZNBACOEHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  cyclo-1,2,4-trioxa-3,5-diborane 以 neat (no solvent) 为溶剂， 生成 oxyborane
  参考文献：
  名称：

  Infrared spectrum of matrix-isolated HBO

  摘要：

  DOI：

  10.1021/ja00752a068
• 作为产物：
  描述：

  borane carbonyl 以 neat (no solvent) 为溶剂， 生成 cyclo-1,2,4-trioxa-3,5-diborane
  参考文献：
  名称：

  Infrared spectra of the pyrolysis products of borane carbonyl in an argon matrix

  摘要：

  DOI：

  10.1021/ja00738a008

文献信息

• Boroxine: A novel approach to the phosphorus trifluoride-borane system
  作者：Lawrence Barton

  DOI：10.1016/0022-1902(68)80339-2

  日期：1968.8

  The gas phase reaction between boroxine and phosphorus trifluoride has been studied and shown to proceed as: B3O3H3(g) + PF3(g) → BH3PF3(g) + B2O3(s). Rate date obtained using an i.r. absorbance technique show a first order dependence on boroxine.

  已经研究了环硼氧烷和三氟化磷之间的气相反应，并显示为：B3O3H3（g）+ PF3（g）→BH3PF3（g）+ B2O3（s）。使用红外吸收技术获得的费率数据显示出对硼环素的一阶依赖性。
• Mass Spectrometric Study of Intermediates in the Oxidation of B₅H₉, B₄H₁₀, and BH₃CO
  作者：Lawrence Barton、C. Perrin、Richard F. Porter

  DOI：10.1021/ic50042a037

  日期：1966.8
• Microwave Spectrum, Molecular Structure, and Dipole Moment of Cyclic H₂B₂O₃
  作者：W. V. F. Brooks、C. C. Costain、R. F. Porter

  DOI：10.1063/1.1701597

  日期：1967.11.15

  The molecular structure of H2B2O3(g) has been determined from its microwave spectrum. Six isotopic species, the normal H211B2O3, H211B10BO3, HD11B2O3, D211B2O3, and the two monosubstituted 18O species were studied. The molecule has C2v symmetry, with the boron and oxygen atoms forming a five-membered ring[Complex chemical formula]. The inertial defect lies in the range Δ = 0.0746±0.0025 u·Å2 for all isotopic species, and is consistent with a strictly planar structure. The rs bond lengths determined are: rs(B–H) = 1.182±0.003 Å, rs(BOapex) = 1.380±0.003 Å, rs(BObase) = 1.365±0.004 Å and rs(OO) = 1.470±0.002 Å. The angles are ≰BOB = 104°0′, ≰OBO = 113°3′, ≰BOO = 104°57′, and ≰HBOapex = 126°16′, with uncertainties of ±15′. The dipole moment was determined to be μ = 0.95±0.01 D.
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.13, 3, page 115 - 118
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.7, 3.1.3, page 17 - 19
  作者：

  DOI：——

  日期：——