[1-Bromo-2-(bromomethanesulfonyl)ethyl]benzene | 648428-37-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [1-Bromo-2-(bromomethanesulfonyl)ethyl]benzene
• 英文别名: [1-bromo-2-(bromomethylsulfonyl)ethyl]benzene
• CAS: 648428-37-9
• 化学式: C₉H₁₀Br₂O₂S
• 分子量: 342.051
• InChiKey: FDRPRORKAVNGAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [1-Bromo-2-(bromomethanesulfonyl)ethyl]benzene 在 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 bromomethyl (E)-2-phenylethenyl sulfone
  参考文献：
  名称：

  单和二溴取代的甲基乙烯基砜与CH-酸烯醇化物的缩合产物

  摘要：

  Bromomethyl (E)-2-phenylethenyl and bromomethyl (Z)-1-bromo-2-phenylethenyl sulfones undergo condensation with enolates generated from malononitrile, dimethyl malonate, methyl and ethyl acetoacetate using NaH in THF to give tetrahydrothiophene S,S-dioxides. Methyl (E)-1-bromo-2-phenylethenyl and methyl (E)-2-bromo-2-phenylethenyl sulfones react with sodium malononitrile to give 2-[2-(methylsulfonyl)-1-phenylethylidene]malononitrile. The bromomethyl-(E)-2-bromo-2-phenyl ethenyl sulfone reacts with sodium malononitrile to give 2-[2-(bromomethylsulfonyl)-1-phenylethylidene]malononitrile exclusively.

  DOI：

  10.1007/s10593-008-0058-9
• 作为产物：
  描述：

  苯乙烯 、 溴甲烷磺酰基溴化物 生成 [1-Bromo-2-(bromomethanesulfonyl)ethyl]benzene
  参考文献：
  名称：

  单和二溴取代的甲基乙烯基砜与CH-酸烯醇化物的缩合产物

  摘要：

  Bromomethyl (E)-2-phenylethenyl and bromomethyl (Z)-1-bromo-2-phenylethenyl sulfones undergo condensation with enolates generated from malononitrile, dimethyl malonate, methyl and ethyl acetoacetate using NaH in THF to give tetrahydrothiophene S,S-dioxides. Methyl (E)-1-bromo-2-phenylethenyl and methyl (E)-2-bromo-2-phenylethenyl sulfones react with sodium malononitrile to give 2-[2-(methylsulfonyl)-1-phenylethylidene]malononitrile. The bromomethyl-(E)-2-bromo-2-phenyl ethenyl sulfone reacts with sodium malononitrile to give 2-[2-(bromomethylsulfonyl)-1-phenylethylidene]malononitrile exclusively.

  DOI：

  10.1007/s10593-008-0058-9

文献信息

• Condensation products of mono-and dibromo-substituted methyl vinyl sulfones with CH-acids enolates
  作者：V. A. Vasin、I. Yu. Bolusheva、V. V. Razin

  DOI：10.1007/s10593-008-0058-9

  日期：2008.4

  Bromomethyl (E)-2-phenylethenyl and bromomethyl (Z)-1-bromo-2-phenylethenyl sulfones undergo condensation with enolates generated from malononitrile, dimethyl malonate, methyl and ethyl acetoacetate using NaH in THF to give tetrahydrothiophene S,S-dioxides. Methyl (E)-1-bromo-2-phenylethenyl and methyl (E)-2-bromo-2-phenylethenyl sulfones react with sodium malononitrile to give 2-[2-(methylsulfonyl)-1-phenylethylidene]malononitrile. The bromomethyl-(E)-2-bromo-2-phenyl ethenyl sulfone reacts with sodium malononitrile to give 2-[2-(bromomethylsulfonyl)-1-phenylethylidene]malononitrile exclusively.