2-(1-hydroxyethyl)-2-methyl-1,3-oxathiolane | 107903-37-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代缩醛
• 英文名称: 2-(1-hydroxyethyl)-2-methyl-1,3-oxathiolane
• 英文别名: 1-(2-methyl-1,3-oxathiolan-2-yl)ethanol
• CAS: 107903-37-7
• 化学式: C₆H₁₂O₂S
• 分子量: 148.226
• InChiKey: FMGBQTKRLNQMEF-UHFFFAOYSA-N

物化性质

• 沸点：
  240.6±25.0 °C(Predicted)
• 密度：
  1.133±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 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：
  54.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-hydroxyethyl)-2-methyl-1,3-oxathiolane 在 氯化亚砜 、 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 以55%的产率得到1,4-噁噻英,2,3-二氢-5,6-二甲基-
  参考文献：
  名称：

  Nevalainen, Vesa; Pohjala, Esko; Maelkoenen, Pentti, Acta Chemica Scandinavica, 1990, vol. 44, # 6, p. 591 - 602

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2-甲基-1,3-氧硫杂环戊烷-2-基)乙酮 在 sodium tetrahydroborate 作用下， 生成 2-(1-hydroxyethyl)-2-methyl-1,3-oxathiolane
  参考文献：
  名称：

  Electron impact induced fragmentations of some 2,2-disubstituted 1,3-oxathiolanes

  摘要：

  AbstractThe electron impact induced fragmentations of nine 2,2‐disubstituted 1,3‐oxathiolanes have been studied by means of exact mass measurement and metastable ion analysis. The ring cleavage almost always takes place so that the C(2)S and C(5)O bonds are broken, leading to the most stable products. The nature of the substituents determines the primary fragmentations of molecular ions. Ring cleavage is important only if both substituents are alkyl groups or if the carbon attaching to the ring has an alkyl character. The loss of the substituent becomes the most favourable process if it is attached to the ring through the electron‐deficient carbon atom.

  DOI：

  10.1002/oms.1210210804

文献信息

• Synthesis of 2-Alkylidene-3,3-dialkyl-1,4-dithianes and Their Oxathiane Analogues by 1,2-Sulphur Migration
  作者：Christopher D. Maycock、M. Teresa Barros、Lúcia S. Santos

  DOI：10.3987/com-97-7898

  日期：——
• NEVALAINEN V.; POHJALA E., FINN. CHEM. LETT., 13,(1986) N 4, 99-103
  作者：NEVALAINEN V.、 POHJALA E.

  DOI：——

  日期：——
• Nevalainen, Vesa; Pohjala, Esko; Maelkoenen, Pentti, Acta Chemica Scandinavica, 1990, vol. 44, # 6, p. 591 - 602
  作者：Nevalainen, Vesa、Pohjala, Esko、Maelkoenen, Pentti、Hukkanen, Heikki

  DOI：——

  日期：——
• Electron impact induced fragmentations of some 2,2-disubstituted 1,3-oxathiolanes
  作者：Pirjo Vainiotalo、Vesa Nevalainen

  DOI：10.1002/oms.1210210804

  日期：1986.8

  AbstractThe electron impact induced fragmentations of nine 2,2‐disubstituted 1,3‐oxathiolanes have been studied by means of exact mass measurement and metastable ion analysis. The ring cleavage almost always takes place so that the C(2)S and C(5)O bonds are broken, leading to the most stable products. The nature of the substituents determines the primary fragmentations of molecular ions. Ring cleavage is important only if both substituents are alkyl groups or if the carbon attaching to the ring has an alkyl character. The loss of the substituent becomes the most favourable process if it is attached to the ring through the electron‐deficient carbon atom.