(2E,4E)-2,4-dimethyl-6-oxo-hexa-2,4-dienoic acid methyl ester

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2E,4E)-2,4-dimethyl-6-oxo-hexa-2,4-dienoic acid methyl ester
• 英文别名: methyl (2E,4E)-2,4-dimethyl-6-oxohexa-2,4-dienoate
• 化学式: C₉H₁₂O₃
• 分子量: 168.192
• InChiKey: UOBIPPAMVRBUOL-IJYBVRAASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-溴-2-甲基甲基丙烯酸酯 在 copper(l) iodide 、 palladium diacetate 、 silver carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 13.0h， 生成 (2E,4E)-2,4-dimethyl-6-oxo-hexa-2,4-dienoic acid methyl ester
  参考文献：
  名称：

  Sequential transhalogenation and Heck reaction for efficient access to dioxo-tetrasubstituted 2,4 E,E-dienes: synthesis of segment C1–C6 of apoptolidin

  摘要：

  Efficient access to dioxo-tetrasubstituted 2,4 E,E-dienes is developed in three steps from commercially available starting materials via sequential trans halogenation and Heck reaction, which provides potentially useful synthons for the synthesis of a tetrasubstituted conjugated diene structure in complex molecules. Thereby, segment C1-C6 of apoptolidin is synthesized. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.07.058

文献信息

• Sequential transhalogenation and Heck reaction for efficient access to dioxo-tetrasubstituted 2,4 E,E-dienes: synthesis of segment C1–C6 of apoptolidin
  作者：Xiaojin Li、Xingzhong Zeng

  DOI：10.1016/j.tetlet.2006.07.058

  日期：2006.9

  Efficient access to dioxo-tetrasubstituted 2,4 E,E-dienes is developed in three steps from commercially available starting materials via sequential trans halogenation and Heck reaction, which provides potentially useful synthons for the synthesis of a tetrasubstituted conjugated diene structure in complex molecules. Thereby, segment C1-C6 of apoptolidin is synthesized. (c) 2006 Elsevier Ltd. All rights reserved.