(2-{[1-(4-Butoxy-phenyl)-meth-(E)-ylidene]-hydrazono}-4-oxo-thiazolidin-5-yl)-acetic acid | 78382-10-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2-{[1-(4-Butoxy-phenyl)-meth-(E)-ylidene]-hydrazono}-4-oxo-thiazolidin-5-yl)-acetic acid
• 英文别名: 2-[(2E)-2-[(4-butoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
• CAS: 78382-10-2
• 化学式: C₁₆H₁₉N₃O₄S
• 分子量: 349.411
• InChiKey: RVOMZLJKDLSPIS-UHFFFAOYSA-N

物化性质

• 沸点：
  548.7±56.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  马来酸酐 、 4-丁氧基苯甲醛缩氨基硫脲 以 氯仿 为溶剂， 反应 4.0h， 以87.1%的产率得到(2-{[1-(4-Butoxy-phenyl)-meth-(E)-ylidene]-hydrazono}-4-oxo-thiazolidin-5-yl)-acetic acid
  参考文献：
  名称：

  Synthesis and study of the biological properties of derivatives of 5-carboxymethylthiazolidine-2,4-dione and of thiocarbohydrazide

  摘要：

  DOI：

  10.1007/bf00765590

文献信息

• Microwave-assisted tandem reactions for the synthesis of 2-hydrazolyl-4-thiazolidinones
  作者：Cecilia Saiz、Chiara Pizzo、Eduardo Manta、Peter Wipf、S. Graciela Mahler

  DOI：10.1016/j.tetlet.2008.12.020

  日期：2009.2

  A tandem method for the synthesis of 2-hydrazolyl-4-thiazolidinones (5) from commercially available materials in a 3-component reaction has been developed. The reaction connects aldehydes, thiosemicarbazides, and maleic anhydride, effectively assisted by microwave irradiation. The synthesis of a new type of compound, 2-hydrazolyl-5,5-diphenyl-4-thiazolidinone (7), obtained by treatment of thiosemicarbazone with benzil in basic media is also reported. HOMO/LUMO energies, orbital coefficients, and charge distribution were used to explain the proposed reaction mechanism. (C) 2008 Elsevier Ltd. All rights reserved.
• Synthesis and study of the biological properties of derivatives of 5-carboxymethylthiazolidine-2,4-dione and of thiocarbohydrazide
  作者：M. A. Kaldrikyan、A. V. Khekoyan、Yu. Z. Ter-Zakharyan、R. V. Paronikyan、G. M. Stepanyan

  DOI：10.1007/bf00765590

  日期：1981.5