4-p-ethoxybenzoyl-5-methoxycarbonyl-1-p-tolylpyrrole-2,3-dione | 142954-55-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 4-p-ethoxybenzoyl-5-methoxycarbonyl-1-p-tolylpyrrole-2,3-dione
• 英文别名: methyl 3-(4-ethoxybenzoyl)-1-(4-methylphenyl)-4,5-dioxopyrrole-2-carboxylate
• CAS: 142954-55-0
• 化学式: C₂₂H₁₉NO₆
• 分子量: 393.396
• InChiKey: CZIKNUJBUSYLFO-UHFFFAOYSA-N

物化性质

• 沸点：
  552.4±60.0 °C(Predicted)
• 密度：
  1.321±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  90
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  二苯胍 、 4-p-ethoxybenzoyl-5-methoxycarbonyl-1-p-tolylpyrrole-2,3-dione 以 1,2-二氯乙烷 为溶剂， 反应 1.0h， 以75%的产率得到9-(4-ethoxybenzoyl)-8-hydroxy-2-imino-6-(4-methylphenyl)-1,3-diphenyl-1,3,6-triazaspiro-[4.4]non-8-ene-4,7-dione
  参考文献：
  名称：

  Five-membered 2,3-dioxo heterocycles: LXXV. Reaction of methyl 1-aryl-3-aroyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates with 1,3-diphenylguanidine. Crystalline and molecular structure of 9-Benzoyl-8-hydroxy-2-imino-6-(4-methylphenyl)-1,3-diphenyl-1,3,6-triazaspiro-[4.4]non-8-ene-4,7-dione

  摘要：

  Methyl 1-aryl-3-aroyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates reacted with 1,3-diphenylguanidine to give the corresponding 6-aryl-9-aroyl-8-hydroxy-2-imino-1,3-diphenyl-1,3,6-triazaspiro[4.4]non-8-ene-4,7-diones. The molecular and crystalline structures of 9-benzoyl-8-hydroxy-2-imino-6-(4-methylphenyl)-1,3-diphenyl-1,3,6-triazaspiro[4.4]non-8-ene-4,7-dione were determined by X-ray analysis.

  DOI：

  10.1134/s1070428011040099

文献信息

• Five-membered 2,3-dioxo heterocycles: XLIX. Reaction of methyl 1-aryl-3-aroyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates with N-substituted 3-amino-5,5-dimethyl-2-cyclohexenones
  作者：Yu. N. Bannikova、A. N. Maslivets、Z. G. Aliev

  DOI：10.1007/s11178-005-0101-6

  日期：2004.12

  Methyl 1-aryl-3-aroyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates react with N-substituted 3-amino-5,5-dimethyl-2-cyclohexenones to give 4′-hydroxy-1′-aryl-3′-aroyl-6,6-dimethyl-1′, 2,3,4,5,5′,6,7-octahydro-1H,2′H-indole-3-spiro-2′-pyrrole-2,4,5′-triones. The structure of the products was proved by the X-ray diffraction data for the 1-cyclohexyl derivative.

  1-aryl-3-aroyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates 与 N-取代的 3-amino-5、5-二甲基-2-环己烯酮反应，得到 4′-羟基-1′-芳基-3′-芳酰基-6,6-二甲基-1′, 2,3,4,5,5′,6,7-octahydro-1H,2′H-indole-3-spiro-2′-pyrrole-2,4,5′-triions.1-cyclohexyl 衍生物的 X 射线衍射数据证明了产品的结构。
• Synthesis and structure of 5-p-ethoxyphenyl-3-methoxycarbonyl-1-p-tolyl-4-p-tolyloxamoylpyrazole
  作者：Z. G. Aliev、A. N. Maslivets、T. M. Gorkovets、Yu. S. Andreichikov、L. O. Atovmyan

  DOI：10.1007/bf02496190

  日期：1999.3

  4-p-Ethoxybenzoyl-5-methoxycarbonyl-1-p-tolylpyrrole-2,3-dione reacts with p-tolylhydrazine to form 5-p-ethoxyphenyl-3-methoxycarbonyl-1-p-tolyl-4-p-tolyloxamoylpyrazole. The molecular and crystal structure of the title compound was studied by X-ray diffraction analysis.
• Five-membered 2,3-dioxo heterocycles: LXXX. Recyclization of 1H-pyrrole-2,3-diones into pyrazolo[1,5-a]pyrimidines by the action of pyrazolamine. Crystalline and molecular structure of substituted pyrazolo[1,5-a]pyrimidine
  作者：E. S. Denislamova、N. V. Bubnov、Z. G. Aliev、A. N. Maslivets

  DOI：10.1134/s107042801109017x

  日期：2011.9

  Methyl 1-aryl-3-aroyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates reacted with 3-methyl-4-phenyl-1H-pyrazol-5-amine to give methyl 7-arylcarbamoyl-6-aroyl-2-methyl-3-phenylpyrazolo[1,5-a]-pyrimidine-5-carboxylates. The molecular and crystalline structures of methyl 6-benzoyl-7-(4-chlorophenylcarbamoyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate were studied by X-ray analysis.
• Five-membered 2,3-dioxoheterocycles: LVIII. Reaction of methyl 1-Aryl-3-aroyl-4,5-dioxo-4,5-dihydro-1H-pyrrol-2-carboxylates with substituted 1-methyl-3,4-dihydroisoquinolines. New approach to the synthesis of steroid 13-azaanalogs
  作者：Yu. N. Bannikova、Yu. S. Rozhkova、Yu. V. Shklyaev、A. N. Maslivets

  DOI：10.1134/s1070428008050102

  日期：2008.5

  Methyl 1-aryl-3-aroyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates reacted with substituted 1-methyl-3,4-dihydroisoquinolines with the formation of substituted 3-oxo-2,3,5,6-tetra-hydropyrrolo[2,1-a]-isoquinoline-2-spiro-2'-(1-aryl-3-aroyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrroles). A new approach was developed to the synthesis of 13-azagonanes, substituted benzo[f]pyrrolo[2,1-a]isoquinoline-9-spiro-2'-pyrroles.
• Recyclization of the pyrrole ring to a pyrazole ring in the reaction of 4-acyl-2,3-dihydropyrrole-2,3-dione with arylhydrazines
  作者：A. N. Maslivets、T. M. Popova、Yu. S. Andreichikov

  DOI：10.1007/bf00471762

  日期：1991.11