2-(2-methylsulfonyl-1-phenylethylidene)malononitrile | 1132748-34-5

• 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: 2-(2-methylsulfonyl-1-phenylethylidene)malononitrile
• 英文别名: 2-[2-(Methylsulfonyl)-1-phenylethylidene]malononitrile；2-(2-methylsulfonyl-1-phenylethylidene)propanedinitrile
• CAS: 1132748-34-5
• 化学式: C₁₂H₁₀N₂O₂S
• 分子量: 246.29
• InChiKey: BVTWPXHSANEILC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  90.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl phenylethynyl sulfone 、 丙二腈 在 sodium hydride 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 19.67h， 以28%的产率得到2-(2-methylsulfonyl-1-phenylethylidene)malononitrile
  参考文献：
  名称：

  Reactions of styryl and phenylethynyl sulfones with some CH-acids

  摘要：

  Reactions of methyl and p-tolyl phenylethynyl sulfones with enolated of dimethyl malonate and malononitrile lead to the formation of sulfonyl-substituted derivatives of ethylidenemalonic acid. Methyl (E)-beta-styryl sulfone reacts with sodium enolates of dimethyl malonate, malononitrile, and methyl cyanoacetate to give common Michael adducts.

  DOI：

  10.1134/s1070428011080033

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.