Methyl 3,4-dicyano-2,2,5-trimethoxyfuran-3-carboxylate | 944242-35-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: Methyl 3,4-dicyano-2,2,5-trimethoxyfuran-3-carboxylate
• CAS: 944242-35-7
• 化学式: C₁₁H₁₂N₂O₆
• 分子量: 268.226
• InChiKey: PNBNHGWYJLEYRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Methyl 3,4-dicyano-2,2,5-trimethoxyfuran-3-carboxylate 在 水 作用下， 以80%的产率得到dl-dimethyl dicyanosuccinate
  参考文献：
  名称：

  Reactions of Dimethoxycarbene with Dimethyl 2,3-Dicycanomaleate and Fumarate

  摘要：

  Dimethoxycarbene, in 2-fold or larger excess, reacts with dimethyl 2,3-dicyanomaleate and fumarate to afford an unstable dihydrofuran 1:1 adduct that was shown to react further with the carbene to afford a 2:1 adduct reported previously. In an astonishing process, the dihydrofuran reacts with water to afford a mixture of (d,l and meso) dimethyl 2,3-dicyanosuccinates in which both hydrogen atoms of water were used to hydrogenate a CC bond.

  DOI：

  10.1021/ol071143u
• 作为产物：
  描述：

  dimethoxycarbene 、 dimethyl 2,3-dicyanofumarate 以 苯 为溶剂， 反应 24.0h， 生成 Methyl 3,4-dicyano-2,2,5-trimethoxyfuran-3-carboxylate
  参考文献：
  名称：

  Reactions of Dimethoxycarbene with Dimethyl 2,3-Dicycanomaleate and Fumarate

  摘要：

  Dimethoxycarbene, in 2-fold or larger excess, reacts with dimethyl 2,3-dicyanomaleate and fumarate to afford an unstable dihydrofuran 1:1 adduct that was shown to react further with the carbene to afford a 2:1 adduct reported previously. In an astonishing process, the dihydrofuran reacts with water to afford a mixture of (d,l and meso) dimethyl 2,3-dicyanosuccinates in which both hydrogen atoms of water were used to hydrogenate a CC bond.

  DOI：

  10.1021/ol071143u