propylene oxide-1,1-d2 | 89031-89-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 环氧化物
• 英文名称: propylene oxide-1,1-d2
• 英文别名: 2,2-Dideuterio-3-methyloxirane
• CAS: 89031-89-0
• 化学式: C₃H₆O
• 分子量: 60.0642
• InChiKey: GOOHAUXETOMSMM-CBTSVUPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.41
• 重原子数：
  4.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.53
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  1,1-D2-1,2-propanediol 在 氢氧化钾 、 氢溴酸 作用下， 生成 propylene oxide-1,1-d2
  参考文献：
  名称：

  Rearrangement and methyl loss from ionized propene oxide and methyl vinyl ether

  摘要：

  DOI：

  10.1021/ja00321a007

文献信息

• Changes in the Enantiomeric Composition of Chiral Mixtures Upon Adsorption on a Non-Chiral Surface
  作者：Stavros Karakalos、Junghyun Hong、Francisco Zaera

  DOI：10.1002/anie.201601549

  日期：2016.5.17

  of propylene oxide, a chiral molecule, on a Pt(111) single‐crystal surface was studied as a function of enantiomeric composition by temperature programmed desorption (TPD) and molecular beams. Two opposing trends were observed leading to variations in the enantiomeric excess (ee) of the chemisorbed layers with respect to the composition of the gas‐phase mixtures: a kinetic effect dominant during the

  通过程序升温脱附（TPD）和分子束研究了手性分子环氧丙烷在Pt（111）单晶表面上的吸附与对映体组成的关系。观察到两个相反的趋势，导致化学吸附层的对映体过量（ee）相对于气相混合物的组成发生变化：在初始吸收过程中占主导地位的动力学效应，优先于对映纯层的形成，大约单层半饱和后会出现稳态效应，这时偏向消旋。这些影响可能是造成重要现象的原因，例如生物系统中一种手性的偏向性以及某些手性化合物的选择性结晶，
• Chemical ionization mass spectra of selected C3H6O compounds
  作者：Richard D. Bowen、Alex G. Harrison

  DOI：10.1002/oms.1210160404

  日期：1981.4

  AbstractThe chemical ionization mass spectra of five isomers of C3H6O (acetone, propionaldehyde, oxetane, propylene oxide and allyl alcohol) have been determined using a variety of reagent gases (H2, D2, N2/H2, CO2/H2 and CO/H2). The [C3H7O]+ ions produced by protonation of these isomers undergo very similar reactions to those reported for analogous [C3H7O]+ metastable ions; however, decomposing ions generated by chemical ionization appear to have somewhat higher internal energies. The results of 2H labelling studies (D2 reagent gas or labelled analogues of C3H6O) indicate that protonation occurs mainly on oxygen and are consistent with previous investigations of metastable oxonium ions. The protonated acetone ion is particularly stable, in agreement with the higher activation energies for fragmentation of this isomer than for other [C3H7O]+ structures. As the calculated heat of protonation of C3H6O is reduced by changing the reagent gas, so the extent to which fragmentation occurs decreases. This is discussed in the context of competition between fragmentation and collisional stabilization of the excited [C3H7O]+* ion. It is concluded that on average a large fraction (approaching 1) of the exothermicity of the protonation reaction resides in the [C3H7O]+* ions produced initially.
• TURECEK, F.;MCLAFFERTY, F. W., J. AMER. CHEM. SOC., 1984, 106, N 9, 2528-2531
  作者：TURECEK, F.、MCLAFFERTY, F. W.

  DOI：——

  日期：——