tert-butylsulfonyl-tert-butylsulfanylethyne

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: tert-butylsulfonyl-tert-butylsulfanylethyne
• 英文别名: (tert-butylsulfonyl)(tert-butylthio)acetylene；2-(2-Tert-butylsulfonylethynylsulfanyl)-2-methylpropane；2-(2-tert-butylsulfonylethynylsulfanyl)-2-methylpropane
• 化学式: C₁₀H₁₈O₂S₂
• 分子量: 234.384
• InChiKey: WFWYZBSMBYLHDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  67.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butylsulfonyl-tert-butylsulfanylethyne 在 间氯过氧苯甲酸 作用下， 以 氯仿 、 Petroleum ether 为溶剂， 反应 48.0h， 以64%的产率得到1-tert-butylsulfinyl-2-tert-butylsulfonylethyne
  参考文献：
  名称：

  Bis(tert-butylsulfonyl)ethyne and 1-tert-butylsulfinyl-2-tert-butylsulfonylethyne

  摘要：

  The title compounds are electron-poor ethynes. The structure determination of bis(tert-butylsulfonyl) ethyne, C10H18O4S2, (I), is the first of a bis-sulfonyl-substituted ethyne. The molecule is situated on a crystallographic inversion centre. The S-Csp bond [1.737 (2) angstrom] is the longest of this type reported to date. 1-tert-Butylsulfinyl-2-tert-butylsulfonylethyne, C10H18O3S2, (II), which is basically the same as (I) minus one O atom, crystallizes isomorphous with (I). This results in a nearly equal distribution of the three O atoms over the four possible positions.

  DOI：

  10.1107/s0108270106047834

文献信息

• Bis(<i>tert</i>-butylsulfonyl)ethyne and 1-<i>tert</i>-butylsulfinyl-2-<i>tert</i>-butylsulfonylethyne
  作者：Daniel B. Werz、Frank Ohlbach、Frank Rominger、Rolf Gleiter

  DOI：10.1107/s0108270106047834

  日期：2007.1.15

  The title compounds are electron-poor ethynes. The structure determination of bis(tert-butylsulfonyl) ethyne, C10H18O4S2, (I), is the first of a bis-sulfonyl-substituted ethyne. The molecule is situated on a crystallographic inversion centre. The S-Csp bond [1.737 (2) angstrom] is the longest of this type reported to date. 1-tert-Butylsulfinyl-2-tert-butylsulfonylethyne, C10H18O3S2, (II), which is basically the same as (I) minus one O atom, crystallizes isomorphous with (I). This results in a nearly equal distribution of the three O atoms over the four possible positions.