2-methoxy-4-formylphenyl-3,4,4-trichlorobut-3-enoate | 648918-05-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 2-methoxy-4-formylphenyl-3,4,4-trichlorobut-3-enoate
• 英文别名: 4-Formyl-2-methoxyphenyl 3,4,4-trichlorobut-3-enoate；(4-formyl-2-methoxyphenyl) 3,4,4-trichlorobut-3-enoate
• CAS: 648918-05-2
• 化学式: C₁₂H₉Cl₃O₄
• 分子量: 323.56
• InChiKey: SAYCMTYJPZJCKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  邻苯二胺 、 2-methoxy-4-formylphenyl-3,4,4-trichlorobut-3-enoate 以 甲醇 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  2-[3-Alkoxy-4-(hydroxy, alkoxy, acyloxy)phenyl]-2,3-dihydro-1H-benzimidazoles on the basis of vanillin and vanillal derivatives

  摘要：

  Previously unknown 2-[3-alkoxy-4-(hydroxy, alkoxy, acyloxy)phenyl]-2,3-dihydro-1H-benzimidazoles were prepared by the reaction of aldehydes of the vanillin series and their ethers and esters with 1,2-phenylenediamine in absolute methanol.

  DOI：

  10.1134/s1070363207110138
• 作为产物：
  描述：

  香草醛 、 3,4,4-trichloro-3-butenoyl chloride 在 吡啶 作用下， 以 乙醚 为溶剂， 以76%的产率得到2-methoxy-4-formylphenyl-3,4,4-trichlorobut-3-enoate
  参考文献：
  名称：

  摘要：

  Esters 1b-15b were synthesized by reacting terpenols 1a-7a, sterols 8a-12a, and plant phenols 13a-15a with 3,4,4-trichloro-3-butenyl chloride.

  DOI：

  10.1023/a:1024112109166

文献信息

• Functionally Substituted Amides and Esters of 3,4,4-Trichloro-3-butenoic Acid
  作者：S. K. Petkevich、E. A. Dikusar、V. I. Potkin、R. V. Kaberdin、K. L. Moiseichuk、A. P. Yuvchenko、P. V. Kurman

  DOI：10.1023/b:rugc.0000031862.88263.de

  日期：2004.4

  Substituted amides and esters of 3,4,4-trichloro-3-butenoic acid were prepared by reactions of its chloride with appropriate amines and alcohols. Treatment of 3,4,4-trichloro-3-butenomorpholide and tert-butyl 3,4,4-trichloro-3-butenoate results in nucleophilic substitution of the internal chlorine atom with the morpholine residue, accompanied by prototropic allyl rearranoement.
• Three-component condensation of Meldrum’s acid with 2-naphthylamine and esters derived from vanillin
  作者：N. G. Kozlov、L. I. Basalaeva

  DOI：10.1134/s1070428006040063

  日期：2006.4

  Three-component condensation of Meldrum's acid (2,2-dimethyl-1,3-dioxane-4,6-dione) with 2-naphthylamine and esters derived from vanillin involves intermediate formation of N-arylmethylidene-2-naphthylamines which are cleaved with Meldrum's acid to give 5-arylmethylidene-2,2-dimethyl-1,3-dioxane4,6-diones and aryimethylideneketenes. Reaction of the latter with 2-naphthylamine leads to formation of 2-methoxy-4-(3-oxo-1,2,3,4-tetrahydrobenzo[f]quinolin-1-yl)phenyl carboxylates.