7-chloro-4-methyl-6-nitro-2H-chromen-2-one | 528536-59-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-chloro-4-methyl-6-nitro-2H-chromen-2-one
• 英文别名: 7-chloro-4-methyl-6-nitrochromen-2-one
• CAS: 528536-59-6
• 化学式: C₁₀H₆ClNO₄
• 分子量: 239.615
• InChiKey: JJBKQLPLMHVJLM-UHFFFAOYSA-N

物化性质

• 熔点：
  255 °C
• 沸点：
  415.7±45.0 °C(Predicted)
• 密度：
  1.508±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-chloro-4-methyl-6-nitro-2H-chromen-2-one 在 盐酸 、 tin(ll) chloride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 6-Amino-4-methyl-7-pyrrolidin-1-ylchromen-2-one
  参考文献：
  名称：

  7-Chloro-4-methyl-6-nitro-2H-chromen-2-one: a novel type of reagent for fluorescence analysis

  摘要：

  Starting from 7-chloro-4-methyl-2H-chromen-2-one 1 we have obtained a new reagent for fluorescence analysis. The synthesised key compound 7-chloro-4-methyl-6-nitro-2H-chromen-2-one 2 forms highly fluorescent derivatives with different amines, which can be introduced by nucleophilic substitution of the chloro atom. Two examples are given which describe the preparation of these derivatives. Additionally, we demonstrate that an increase of fluorescence can be achieved, if a reduction step is performed after the substitution. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02638-2
• 作为产物：
  描述：

  7-chloro-4-methyl-2H-chromen-2-one 在 硫酸 、 硝酸 作用下， 反应 1.0h， 生成 7-chloro-4-methyl-6-nitro-2H-chromen-2-one 、 7-chloro-3,6-dinitro-4-methyl-2H-chromen-2-one 、
  参考文献：
  名称：

  7-Chloro-4-methyl-6-nitro-2H-chromen-2-one: a novel type of reagent for fluorescence analysis

  摘要：

  Starting from 7-chloro-4-methyl-2H-chromen-2-one 1 we have obtained a new reagent for fluorescence analysis. The synthesised key compound 7-chloro-4-methyl-6-nitro-2H-chromen-2-one 2 forms highly fluorescent derivatives with different amines, which can be introduced by nucleophilic substitution of the chloro atom. Two examples are given which describe the preparation of these derivatives. Additionally, we demonstrate that an increase of fluorescence can be achieved, if a reduction step is performed after the substitution. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02638-2

文献信息

• 7-Chloro-4-methyl-6-nitro-2H-chromen-2-one: a novel type of reagent for fluorescence analysis
  作者：Christian R. Noe、Spyridon Kornilios、Bodo Lachmann

  DOI：10.1016/s0040-4039(02)02638-2

  日期：2003.1

  Starting from 7-chloro-4-methyl-2H-chromen-2-one 1 we have obtained a new reagent for fluorescence analysis. The synthesised key compound 7-chloro-4-methyl-6-nitro-2H-chromen-2-one 2 forms highly fluorescent derivatives with different amines, which can be introduced by nucleophilic substitution of the chloro atom. Two examples are given which describe the preparation of these derivatives. Additionally, we demonstrate that an increase of fluorescence can be achieved, if a reduction step is performed after the substitution. (C) 2003 Elsevier Science Ltd. All rights reserved.