3,3-二氯-4-(对甲氧基苯基)-1-苯基-2-氮杂环丁酮 | 57880-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 中文名称: 3,3-二氯-4-(对甲氧基苯基)-1-苯基-2-氮杂环丁酮
• 英文名称: 3,3-dichloro-4-(p-methoxyphenyl)-1-phenyl-2-azetidinone
• 英文别名: 3,3-dichloro-1-phenyl-4-p-methoxyphenylazetidin-2-one；3,3-dichloro-4-(4-methoxy-phenyl)-1-phenyl-azetidin-2-one；3,3-Dichloro-1-phenyl-4-(p-methoxyphenyl)-2-azetidinone；3,3-Dichlor-1-phenyl-4-p-methoxyphenyl-2-azetidinon；3,3-Dichloro-4-(4-methoxyphenyl)-1-phenyl-azetidin-2-one；3,3-dichloro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
• CAS: 57880-71-4
• 化学式: C₁₆H₁₃Cl₂NO₂
• 分子量: 322.191
• InChiKey: RMRYBSLSQUFSHC-UHFFFAOYSA-N

物化性质

• 熔点：
  154-155 °C(Solv: ethanol (64-17-5))
• 沸点：
  518.3±50.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3-二氯-4-(对甲氧基苯基)-1-苯基-2-氮杂环丁酮 680.0 ℃ 、0.27 Pa 条件下， 以60%的产率得到1-(2,2-dichlorovinyl)-4-methoxybenzene
  参考文献：
  名称：

  Bartnik, R.; Lesniak, S., Polish Journal of Chemistry, 1994, vol. 68, # 12, p. 2605 - 2612

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-N-(4-methoxybenzylidene)aniline 以87%的产率得到
  参考文献：
  名称：

  MORIMOTO T.; SEKIYA M., CHEM. AND PHARM. BULL. , 1976, 24, NO 8, 1935-1938

  摘要：

  DOI：

文献信息

• Reaction of Imines with Trichloroacetic Esters or Anhydride Promoted by Iron Carbonyl or Microwave Irradiation. Preparation of 3,3-Dichloro-β-Lactams
  作者：Mohammad S. Khajavi、Fatemeh Sefidkon、S. S. Sadat Hosseini

  DOI：10.1039/a804314k

  日期：——

  The synthesis of 3,3-dichloroazetidin-2-ones by the reaction of imines and methyl or trimethylsilyl trichloroacetate promoted by diiron nonacarbonyl or by microwave irradiation of imines and trichloroacetic anhydride is described.

  通过亚胺与甲基或三甲基氯硅烷三氯乙酸酯的反应，采用二铁九碳基或亚胺与三氯乙酸酐的微波辐射促进合成3,3-二氯氨基吡咯烷-2-酮的过程被描述。
• Synthesis and antimicrobial activity of 1,4-diaryl-2-azetidinones
  作者：Vıldan Güner、Süleyman Yıldırır、Berrın Özçelık、Ufuk Abbasoğlu

  DOI：10.1016/s0014-827x(99)00126-3

  日期：2000.2

  Cycloaddition of substituted 4,4-benzylidene-anilines to in situ prepared dichloroketenes in the presence of dichloroacetyl chloride and triethylamine affords a variety of 2-azetidinones. All the compounds were characterized by IR and H-1 NMR. Their antimicrobial activity, against Gram(+) and Gram(-) bacteria and fungi, was tested. (C) 2000 Elsevier Science S.A. All rights reserved.
• 3,3-Dichloro-4-(p-methoxyphenyl)-1-phenyl-2-azetidinone
  作者：F. Ercan、D. Ülkü、V. Güner

  DOI：10.1107/s0108270196002119

  日期：1996.7.15

  The structure of the title compound consists of discrete C16H13C12NO2 molecules with a closest intermolecular contact of 2.54 (3) Angstrom between the carbonyl O atom and a methyl H atom, The four-membered ring is nearly planar, with long C-C distances of 1.564 (5) and 1.537 (5) Angstrom, similar to the distances observed in other substituted monocyclic beta-lactams. The dihedral angle between the planes of the phenyl rings is 78.6(1)degrees.
• SEKIYA M.; MORIMOTO T., CHEM. AND PHARM BULL. <CPBT-AL>, 1975, 23, NO 10, 2353-2357
  作者：SEKIYA M.、 MORIMOTO T.

  DOI：——

  日期：——
• Bartnik, R.; Lesniak, S., Polish Journal of Chemistry, 1994, vol. 68, # 12, p. 2605 - 2612
  作者：Bartnik, R.、Lesniak, S.

  DOI：——

  日期：——