(E)-methyl 3-(2,3-dimethoxystyryl)-5-oxo-1-phenylcyclohex-3-enecarboxylate | 1233111-89-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (E)-methyl 3-(2,3-dimethoxystyryl)-5-oxo-1-phenylcyclohex-3-enecarboxylate
• 英文别名: methyl 3-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-oxo-1-phenylcyclohex-3-ene-1-carboxylate
• CAS: 1233111-89-1
• 化学式: C₂₄H₂₄O₅
• 分子量: 392.452
• InChiKey: AHONKYMTEYXGMV-OUKQBFOZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 3-methyl-5-oxo-1-phenylcyclohex-3-enecarboxylate 、 2,3-二甲氧基苯甲醛 在 bismuth(III) chloride 作用下， 生成 (Z)-methyl 3-(2,3-dimethoxystyryl)-5-oxo-1-phenylcyclohex-3-enecarboxylate 、 (E)-methyl 3-(2,3-dimethoxystyryl)-5-oxo-1-phenylcyclohex-3-enecarboxylate
  参考文献：
  名称：

  Synthesis of 3-methyl-2-cyclohexenones catalyzed by mercury(II) salts and their microwave assisted BiCl3 catalyzed aldol condensations

  摘要：

  HgSO4 catalyzed hydrative cyclization of 1,6-heptadiynes is present. This reaction proceeded smoothly under the mild condition for differently 4-sustituted 1,6-diynic substrates giving corresponding 3-methyl-2-cyclohexenones with high to excellent yield. The microwave assisted aldol condensation of cyclohexenones under the catalysis of BiCl3 afforded 3-styryl-cyclohexenones with high regio- and stereo-selectivity. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.08.037

文献信息

• Synthesis of 3-methyl-2-cyclohexenones catalyzed by mercury(II) salts and their microwave assisted BiCl3 catalyzed aldol condensations
  作者：Chen Zhang、Bi-Song Wang、Shi-Feng Chen、Shao-Qiao Zhang、Dong-Mei Cui

  DOI：10.1016/j.jorganchem.2010.08.037

  日期：2011.1

  HgSO4 catalyzed hydrative cyclization of 1,6-heptadiynes is present. This reaction proceeded smoothly under the mild condition for differently 4-sustituted 1,6-diynic substrates giving corresponding 3-methyl-2-cyclohexenones with high to excellent yield. The microwave assisted aldol condensation of cyclohexenones under the catalysis of BiCl3 afforded 3-styryl-cyclohexenones with high regio- and stereo-selectivity. (C) 2010 Elsevier B.V. All rights reserved.