2-(Dimethyl-hydrazono)-3-methyl-4-phenylsulfanyl-butyric acid methyl ester | 173383-93-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(Dimethyl-hydrazono)-3-methyl-4-phenylsulfanyl-butyric acid methyl ester
• CAS: 173383-93-2
• 化学式: C₁₄H₂₀N₂O₂S
• 分子量: 280.391
• InChiKey: SWPFYAHVAVASQD-SQFISAMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  41.9
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(Dimethyl-hydrazono)-3-methyl-4-phenylsulfanyl-butyric acid methyl ester 在 Oxone 、 碳酸氢钠 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 72.0h， 生成 (4aS,7aR)-1-Dimethylamino-3-methyl-5,7-dioxo-6-phenyl-4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Diels-alder reactions with 2-substituted-α,β-unsaturated hydrazones in concentrated organic solutions of lintf2 ‡

  摘要：

  alpha,beta-Unsaturated hydrazones bearing an ester or a nitrile at C-2 position have been synthesized. They are unreactive towards electron-rich dienophiles but react with electron-poor dienophiles. Dramatic rate enhancements have been observed in concentrated organic solutions of LiNTf(2).

  DOI：

  10.1016/0040-4039(95)01949-i
• 作为产物：
  描述：

  苯硫酚 、 Methyl 2-Oxo-3-methylbut-3-enoate 、 偏二甲肼 在 sodium sulfate 、 三乙胺 作用下， 生成 2-(Dimethyl-hydrazono)-3-methyl-4-phenylsulfanyl-butyric acid methyl ester
  参考文献：
  名称：

  Diels-alder reactions with 2-substituted-α,β-unsaturated hydrazones in concentrated organic solutions of lintf2 ‡

  摘要：

  alpha,beta-Unsaturated hydrazones bearing an ester or a nitrile at C-2 position have been synthesized. They are unreactive towards electron-rich dienophiles but react with electron-poor dienophiles. Dramatic rate enhancements have been observed in concentrated organic solutions of LiNTf(2).

  DOI：

  10.1016/0040-4039(95)01949-i