α,2,5-trimethylbenzenepropanal | 6884-40-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: α,2,5-trimethylbenzenepropanal
• 英文别名: 2-Methyl-3-<2,5-dimethyl-phenyl>-propionaldehyd；2-Methyl-3-(2,5-dimethyl-phenyl)-propionaldehyd；3-(2,5-Dimethylphenyl)-2-methylpropanal
• CAS: 6884-40-8
• 化学式: C₁₂H₁₆O
• 分子量: 176.258
• InChiKey: HHNSFHNQSOZTOG-UHFFFAOYSA-N

物化性质

• 沸点：
  258.4±9.0 °C(Predicted)
• 密度：
  0.950±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-Acetoxy-2-methyl-3-[2,5-dimethyl-phenyl]-propen-(1) 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 α,2,5-trimethylbenzenepropanal
  参考文献：
  名称：

  Gerasimovich,T.B.; Kologrivova,N.E., Journal of Organic Chemistry USSR (English Translation), 1966, vol. 2, p. 671 - 673

  摘要：

  DOI：

文献信息

• Oxidative Coupling of Benzenes with α,β-Unsaturated Aldehydes by the Pd(OAc)₂/Molybdovanadophosphoric Acid/O₂ System
  作者：Tomoyuki Yamada、Satoshi Sakaguchi、Yasutaka Ishii

  DOI：10.1021/jo050534o

  日期：2005.7.1

  The oxidative coupling reaction of benzene with an (x,P-unsaturated aldehyde was examined by the combined catalytic system of Pd(OAc)(2) with molybdovanadophosphoric acid (HPMoV) under atmospheric dioxygen. Thus, the reaction of benzene with acrolein under dioxygen (1 atm) by the use of catalytic amounts of Pd(OAc)(2) and H4PMo11VO40 (.) 26H(2)O in the presence of dibenzoylmethane as, a ligand in propionic acid at 90 degrees C for 1.5 h afforded cinnamaldehyde in 59% yield and beta-phenyleinnamaldehyde in 5% yield. This catalytic system was extended to the direct oxidative coupling through the C-H bond activation of various arenes with acrolein and methacrolein.