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Ethyl [(cyanomethyl)sulfonyl]acetate | 1156876-76-4

中文名称
——
中文别名
——
英文名称
Ethyl [(cyanomethyl)sulfonyl]acetate
英文别名
ethyl 2-(cyanomethylsulfonyl)acetate
Ethyl [(cyanomethyl)sulfonyl]acetate化学式
CAS
1156876-76-4
化学式
C6H9NO4S
mdl
——
分子量
191.208
InChiKey
UVGYFNCNYUUFJG-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -0.3
  • 重原子数:
    12
  • 可旋转键数:
    5
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.67
  • 拓扑面积:
    92.6
  • 氢给体数:
    0
  • 氢受体数:
    5

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    ethyl 2-(cyanomethylthio)acetate双氧水dioxide titanium 作用下, 以 乙腈 为溶剂, 反应 8.5h, 以95%的产率得到Ethyl [(cyanomethyl)sulfonyl]acetate
    参考文献:
    名称:
    TiO2 nanoparticles and Preyssler-type heteropoly acid modified nano-sized TiO2: A facile and efficient catalyst for the selective oxidation of sulfides to sulfones and sulfoxides
    摘要:
    A new and efficient synthetic method has been developed for the selective conversion of sulfides into their corresponding sulfones and sulfoxides using H2O2 in the presence of neat or Preyssler-type heteropoly acid modified nano-sized TiO2 as catalyst. respectively. The reaction was performed at room temperature with quantitative yields. The catalyst is reusable without significant loss of activity for the next oxidation reaction. (C) 2010 Elsevier B.V. All rights reserved.
    DOI:
    10.1016/j.molcata.2010.03.011
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文献信息

  • TiO2 nanoparticles and Preyssler-type heteropoly acid modified nano-sized TiO2: A facile and efficient catalyst for the selective oxidation of sulfides to sulfones and sulfoxides
    作者:Mohammad Rahimizadeh、Ghadir Rajabzadeh、Seyed-Mola Khatami、Hossein Eshghi、Ali Shiri
    DOI:10.1016/j.molcata.2010.03.011
    日期:2010.5.17
    A new and efficient synthetic method has been developed for the selective conversion of sulfides into their corresponding sulfones and sulfoxides using H2O2 in the presence of neat or Preyssler-type heteropoly acid modified nano-sized TiO2 as catalyst. respectively. The reaction was performed at room temperature with quantitative yields. The catalyst is reusable without significant loss of activity for the next oxidation reaction. (C) 2010 Elsevier B.V. All rights reserved.
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