2-carbamoyl-3,4-dihydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid ethyl ester | 756485-87-7

• 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: 2-carbamoyl-3,4-dihydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid ethyl ester
• CAS: 756485-87-7
• 化学式: C₁₅H₁₅NO₆
• 分子量: 305.287
• InChiKey: AAIZKGFMNWTQEL-PMESKEJUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.17
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  126.92
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-氨基苯硫醇 、 2-carbamoyl-3,4-dihydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid ethyl ester 以 乙醇 为溶剂， 以64%的产率得到2-phenacylidene-2,3-dihydro-4H-1,4-benzothiazin-3-one
  参考文献：
  名称：

  Tetracarbonyl Systems: VII. Reactions of 1,3,4,6-Tetracarbonyl Compounds with o-Aminothiophenol in the Synthesis of Regioisomeric 3(2)-Aroylmethylene-1,4-benzothiazin-2(3)ones

  摘要：

  In reaction of 1,6-diaryl-3,4-dihydroxy-2,4-hexadiene-1,6-diones with o-aminothiophenol (3Z)-3-aroylmethylene-3,4-dihydro-2H-1,4-benzothiazin-2-ones were obtained in a preparative yield. In solution of the latter compounds an enamine-imine tautomerism was observed. In reaction of ethyl esters or an-fides of 2-substituted 6-aryl-3,4-dihydroxy-6-oxo-2,4-hexadienoic acids with the o-aminothiophenol regioisomeric 2-aroylmethylene-2H-1,4-benzothiazin-3(4H)-ones were formed.

  DOI：

  10.1023/b:rujo.0000003166.58756.fa
• 作为产物：
  描述：

  氰乙酸乙酯 、 5-苯基呋喃-2,3-二酮 在 乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以92%的产率得到2-carbamoyl-3,4-dihydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid ethyl ester
  参考文献：
  名称：

  摘要：

  The Knoevenagel reaction of 5-aryl-2,3-dihydrofuran-2,3-diones with ethyl cyanoacetate or malonodinitrile yields 2-substituted 6-aryl-3,4-dihydroxy-6-oxo-2,4-hexadienoic acid esters or amides which exhibit biological activity. The structure of the products is discussed, taking into account the structure of known 3,4-dihydroxy-6-oxo-2,4-hexadienoic acid esters and 1,6-diaryl-3,4-dihydroxy-2,4-hexadiene-1,6-diones.

  DOI：

  10.1023/a:1013839632482

文献信息

• ——
  作者：V. O. Kozminykh、N. M. Igidov、E. N. Kozminykh

  DOI：10.1023/a:1015660009406

  日期：——