methyl 6-oxo-2(Z),4(E)-heptadienoate | 93714-85-3

• 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: methyl 6-oxo-2(Z),4(E)-heptadienoate
• 英文别名: methyl (2Z,4E)-6-oxohepta-2,4-dienoate
• CAS: 93714-85-3
• 化学式: C₈H₁₀O₃
• 分子量: 154.166
• InChiKey: SZJUMILTEPAIIA-UZNMPDEFSA-N

物化性质

• 沸点：
  255.9±23.0 °C(Predicted)
• 密度：
  1.038±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  2,5-二氢-2,5-二甲氧基-2-甲基呋喃 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 2.75h， 生成 methyl 6-oxo-2(Z),4(E)-heptadienoate
  参考文献：
  名称：

  Synthesis and interconversion of the four isomeric 6-oxo-2,4-heptadienoic acids

  摘要：

  DOI：

  10.1021/jo00204a004

文献信息

• A convenient stereoselective synthesis of conjugated (2Z)-EN-4-ynoic and (2Z,4Z)- and (2Z,4E)-dienoic acid derivatives from propiolic acid derivatives
  作者：Xiyan Lu、Xiaoling Huang、Shengming Ma

  DOI：10.1016/s0040-4039(00)92235-4

  日期：1992.4

  The palladium-catalyzed one-pot sequential reaction of propiolic acid derivatives with lithium halides first, and then with terminal alkynes or alkenes affords conjugated (2Z) -en-4-ynoic and (2Z,4Z)- and (2Z,4E)- dienoic acid derivatives with high stereoselectivity.

  钯催化的丙酸衍生物与卤化锂的一锅顺序反应，然后与末端炔烃或烯烃进行单锅顺序反应，得到共轭的（2Z）-en-4-炔酸和（2Z，4Z）-和（2Z，4E）-具有高立体选择性的二烯酸衍生物。
• FELIU, A. L.;SELTZER, S., J. ORG. CHEM., 1985, 50, N 4, 447-451
  作者：FELIU, A. L.、SELTZER, S.

  DOI：——

  日期：——
• [EN] NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF<br/>[FR] NOUVEAUX ACIDES TÉRÉPHTALIQUES ET TRIMÉLLITIQUES ET DÉRIVÉS CARBOXYLATES ASSOCIÉS
  申请人：DRATHS CORP

  公开号：WO2010148081A2

  公开（公告）日：2010-12-23

  The present invention relates to novel substituted and unsubstituted terephthalic acid and carboxylate derivatives and products prepared therefrom having a significant renewable content. The invention also relates to processes for preparing substituted and unsubstituted terephthalic and carboxylate derivatives thereof wherein a portion of the starting materials utilized is derived from renewable resources. The invention also relates to novel cyclohexene based intermediates prepared in these processes and to conversion of these intermediates to substituted and unsubstituted cyclohexane-1,4-dicarboxylates and carboxylate derivatives thereof and novel forms of the resulting products having renewable content. The invention also relates to products prepared from substituted and unsubstituted terephthalic acid and carboxylate derivatives thereof derived from starting materials derived from renewable resources.