2-(3,4-dichlorobenzoylmethylsulfanyl)-4-(2-methoxyphenyl)-6-phenylpyridine-3-carbonitrile | 312758-09-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3,4-dichlorobenzoylmethylsulfanyl)-4-(2-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
• 英文别名: 2-{[2-(3,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-6-phenylpyridine-3-carbonitrile；2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
• CAS: 312758-09-1
• 化学式: C₂₇H₁₈Cl₂N₂O₂S
• mdl: MFCD00315774
• 分子量: 505.424
• InChiKey: VMBAQEFIDIAHEA-UHFFFAOYSA-N

物化性质

• 沸点：
  670.5±55.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  88.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3,4-dichlorobenzoylmethylsulfanyl)-4-(2-methoxyphenyl)-6-phenylpyridine-3-carbonitrile 在 sodium ethanolate 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以4 g的产率得到[3-amino-4-(2-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl](3,4-dichlorophenyl)methanone
  参考文献：
  名称：

  A New Version of Multicomponent Synthesis of 4,6-Diaryl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile Derivatives

  摘要：

  Multicomponent condensation of aromatic aldehydes with acetophenones, cyanothioacetamide, and alkylating agents has been shown to provide synthetic routes to various pyridine and thienopyridine derivatives. The structure of some of the synthesized heterocycles has been confirmed by X-ray analysis.

  DOI：

  10.1134/s1070428018090014
• 作为产物：
  描述：

  苯甲酰三氟丙酮 在 N-甲基吗啉 、 potassium hydroxide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 2-(3,4-dichlorobenzoylmethylsulfanyl)-4-(2-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
  参考文献：
  名称：

  Synthesis of 4-aryl-6-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitriles by three-component condensation of aromatic aldehydes with cyanothioacetamide and 4,4,4-trifluoro-1-phenylbutane-1,3-dione

  摘要：

  4-Aryl-6-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitriles were synthesized by three-component condensation of aromatic aldehydes with cyanothioacetamide and 4,4,4-trifluoro-1-phenylbutane-1,3-dione. The reaction involved initial formation of Michael adducts which underwent acyl cleavage.

  DOI：

  10.1134/s1070428011100150

文献信息

• A New Version of Multicomponent Synthesis of 4,6-Diaryl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile Derivatives
  作者：I. V. Dyachenko、V. D. Dyachenko、E. G. Polupanenko、P. V. Dorovatovskii、V. N. Khrustalev、V. G. Nenajdenko

  DOI：10.1134/s1070428018090014

  日期：2018.9

  Multicomponent condensation of aromatic aldehydes with acetophenones, cyanothioacetamide, and alkylating agents has been shown to provide synthetic routes to various pyridine and thienopyridine derivatives. The structure of some of the synthesized heterocycles has been confirmed by X-ray analysis.
• Synthesis of 4-aryl-6-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitriles by three-component condensation of aromatic aldehydes with cyanothioacetamide and 4,4,4-trifluoro-1-phenylbutane-1,3-dione
  作者：V. D. Dyachenko

  DOI：10.1134/s1070428011100150

  日期：2011.10

  4-Aryl-6-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitriles were synthesized by three-component condensation of aromatic aldehydes with cyanothioacetamide and 4,4,4-trifluoro-1-phenylbutane-1,3-dione. The reaction involved initial formation of Michael adducts which underwent acyl cleavage.