6-nitro-chromene-2-thione | 98591-86-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-nitro-chromene-2-thione
• 英文别名: 6-Nitro-chromen-2-thion；6-Nitrochromene-2-thione
• CAS: 98591-86-7
• 化学式: C₉H₅NO₃S
• 分子量: 207.21
• InChiKey: RKQZRJGJFYKQSX-UHFFFAOYSA-N

物化性质

• 沸点：
  345.2±52.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-nitro-chromene-2-thione 在 一水合肼 、 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 13.0h， 以90%的产率得到6-Nitrocoumarin hydrazone
  参考文献：
  名称：

  Synthesis of some new biologically-active coumarin derivatives

  摘要：

  Coumarin and 6-nitrocoumarin hydrazones (2a,b), respectively, were prepared via the reaction of 2-thiocoumarin (1a,b) derivatives with hydrazine hydrate. The hydrazones were used as key intermediates for the preparation of some benzopyrano[2,3-c]pyrazoles (21-24) through the reaction of different acyl halides and subsequent cyclization in N,N-dimethylaniline. Benzopyrano[2,3-c]pyrazole-3-thione (25a,b) was prepared by the reaction of 1a with CS2 on which some alkylation, acylation and Mannich reactions were studied. Alternative procedures, other reactions and biological activity of some new compounds were given.

  DOI：

  10.1016/s0014-827x(98)00099-8
• 作为产物：
  描述：

  6-硝基香豆素 在 diphosphorus pentasulfide 、 xylene 作用下， 生成 6-nitro-chromene-2-thione
  参考文献：
  名称：

  Clayton; Godden, Journal of the Chemical Society, 1912, vol. 101, p. 213

  摘要：

  DOI：

文献信息

• Synthesis of some new biologically-active coumarin derivatives
  作者：Ahmed M. El-Sayed、Abdel-Badih A.G. Ghattas、Mohamed T. El-Wassimy、Omayma A. Abd Allah

  DOI：10.1016/s0014-827x(98)00099-8

  日期：1999.1

  Coumarin and 6-nitrocoumarin hydrazones (2a,b), respectively, were prepared via the reaction of 2-thiocoumarin (1a,b) derivatives with hydrazine hydrate. The hydrazones were used as key intermediates for the preparation of some benzopyrano[2,3-c]pyrazoles (21-24) through the reaction of different acyl halides and subsequent cyclization in N,N-dimethylaniline. Benzopyrano[2,3-c]pyrazole-3-thione (25a,b) was prepared by the reaction of 1a with CS2 on which some alkylation, acylation and Mannich reactions were studied. Alternative procedures, other reactions and biological activity of some new compounds were given.
• Clayton; Godden, Journal of the Chemical Society, 1912, vol. 101, p. 213
  作者：Clayton、Godden

  DOI：——

  日期：——