2-chloro-3-(3-methyl-4-oxocyclohexa-2,5-dienylideneamino)-1,4-dihydronaphthalene-1,4-dione | 1370231-48-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-chloro-3-(3-methyl-4-oxocyclohexa-2,5-dienylideneamino)-1,4-dihydronaphthalene-1,4-dione
• 英文别名: 2-Chloro-3-([3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]amino)-1,4-dihydronaphthalene-1,4-dione；2-chloro-3-[(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]naphthalene-1,4-dione
• CAS: 1370231-48-3
• 化学式: C₁₇H₁₀ClNO₃
• mdl: MFCD26098264
• 分子量: 311.724
• InChiKey: AGDGVKGRJHDRCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  63.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(4-hydroxy-3-methylphenylamino)-1,4-naphthoquinone 在 pyridinium chlorochromate 作用下， 以 溶剂黄146 为溶剂， 反应 0.5h， 以68%的产率得到2-chloro-3-(3-methyl-4-oxocyclohexa-2,5-dienylideneamino)-1,4-dihydronaphthalene-1,4-dione
  参考文献：
  名称：

  Reactions of 2-(4-hydroxyanilino)-1,4-naphthoquinones with cerium ammonium nitrate and pyridinium chlorochromate

  摘要：

  Reactions of 2-(4-hydroxyarylamino)-1,4-naphthoquinones with cerium ammonium nitrate or pyridinium chlorochromate depending on the structure of initial substrate and the type of reagent led to the formation of 2-chloro-3-(4-cyclohexa-2,5-dienylideneamino)-1,4-dihydronaphthalene-1,4-diones, 2-(4-hydroxy-3-nitrophenylamino)-1,4-naphthaquinones, and also to simultaneous oxidation and chlorination.

  DOI：

  10.1134/s1070428012020121

文献信息

• Reactions of 2-(4-hydroxyanilino)-1,4-naphthoquinones with cerium ammonium nitrate and pyridinium chlorochromate
  作者：A. E. Devyashina、L. M. Gornostaev、Yu. V. Gatilov

  DOI：10.1134/s1070428012020121

  日期：2012.2

  Reactions of 2-(4-hydroxyarylamino)-1,4-naphthoquinones with cerium ammonium nitrate or pyridinium chlorochromate depending on the structure of initial substrate and the type of reagent led to the formation of 2-chloro-3-(4-cyclohexa-2,5-dienylideneamino)-1,4-dihydronaphthalene-1,4-diones, 2-(4-hydroxy-3-nitrophenylamino)-1,4-naphthaquinones, and also to simultaneous oxidation and chlorination.