(2E,6E)-7-(3,4-Dimethoxy-phenyl)-3-methoxy-4-methyl-5-oxo-hepta-2,6-dienoic acid methyl ester | 478011-27-7

• 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: (2E,6E)-7-(3,4-Dimethoxy-phenyl)-3-methoxy-4-methyl-5-oxo-hepta-2,6-dienoic acid methyl ester
• CAS: 478011-27-7
• 化学式: C₁₈H₂₂O₆
• 分子量: 334.369
• InChiKey: XCFKVBDYQQGJEQ-IAPFJDDYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  24.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  三氟甲烷磺酸甲酯 、 (2E,6E)-7-(3,4-Dimethoxy-phenyl)-3-methoxy-4-methyl-5-oxo-hepta-2,6-dienoic acid methyl ester 在 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 、 六甲基磷酰三胺 为溶剂， 反应 0.17h， 以52%的产率得到methyl (2E,4E,6E)-7-(3,4-dimethoxyphenyl)-3,5-dimethoxy-4-methylhepta-2,4,6-trienoate
  参考文献：
  名称：

  The first synthesis and antifungal activities of 9-methoxystrobilurin-type β-substituted β-Methoxyacrylate

  摘要：

  The first synthesis of 9-methoxystrobilurin-type beta-substituted MOAs was successfully achieved. A chiral oudemansin-type beta-substituted MOA was also synthesized utilizing Mukaiyama's asymmetric aldol reaction. Antifungal activities of the synthesized compounds against several representative fungi were examined by disk-diffusion assay. As a result, unique and superior antifungal properties of 9-methoxystrobilurin-type beta-substituted MOAs compared with those of oudemansin-type analogue were clearly revealed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00625-x
• 作为产物：
  描述：

  在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 (2E,6E)-7-(3,4-Dimethoxy-phenyl)-3-methoxy-4-methyl-5-oxo-hepta-2,6-dienoic acid methyl ester
  参考文献：
  名称：

  The first synthesis and antifungal activities of 9-methoxystrobilurin-type β-substituted β-Methoxyacrylate

  摘要：

  The first synthesis of 9-methoxystrobilurin-type beta-substituted MOAs was successfully achieved. A chiral oudemansin-type beta-substituted MOA was also synthesized utilizing Mukaiyama's asymmetric aldol reaction. Antifungal activities of the synthesized compounds against several representative fungi were examined by disk-diffusion assay. As a result, unique and superior antifungal properties of 9-methoxystrobilurin-type beta-substituted MOAs compared with those of oudemansin-type analogue were clearly revealed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00625-x