4-[1-(4-methoxyphenylamino)ethylidene]-2H-thiopyran-3,5(4H,6H)-dione | 446266-95-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[1-(4-methoxyphenylamino)ethylidene]-2H-thiopyran-3,5(4H,6H)-dione
• 英文别名: 4-[1-(4-methoxyanilino)ethylidene]thiane-3,5-dione
• CAS: 446266-95-1
• 化学式: C₁₄H₁₅NO₃S
• mdl: MFCD03308120
• 分子量: 277.344
• InChiKey: JIANIEAYDAMZSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.27
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-[1-(4-methoxyphenylamino)ethylidene]-2H-thiopyran-3,5(4H,6H)-dione 在 间氯过氧苯甲酸 作用下， 生成 4-[1-(4-methoxyphenylamino)ethylidene]-2H-1λ⁴-thiopyran-3,5(4H,6H)-dione 1-oxide
  参考文献：
  名称：

  4-Acyl-2H-thiopyran-3,5（4H，6H）-diones：合成，氧化和与胺反应

  摘要：

  Acylation of 2H-thiopyran-3,5(4H,6H)-dione and 2-methyl-2H-thiopyran-3,5(4H,6H)-dione with acetyl chloride or propionyl chloride afforded the corresponding 4-acyl-2H-thiopyran-3,5(4H,6H)-diones. Oxidation of 4-acetyl-2H-thiopyran-3,5(4H,6H)-dione with m-chloroperoxybenzoic acid gave 4-acetyl-2H-thiopyran-3,5(4H,6H)-dione I-oxide. 4-Acyl-2H-thiopyran-3,5(4H,6H)-diones and 4-acetyl-2H-thiopyran3,5(4H,6H)-dione I-oxide reacted with pyrrolidine, allylamine, and p-anisidine, resulting in formation of the corresponding 4-aminomethylene derivatives.

  DOI：

  10.1023/b:rujo.0000019742.81245.f7
• 作为产物：
  描述：

  2H-噻喃-3,5(4H,6H)-二酮 在 吡啶 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 4-[1-(4-methoxyphenylamino)ethylidene]-2H-thiopyran-3,5(4H,6H)-dione
  参考文献：
  名称：

  4-Acyl-2H-thiopyran-3,5（4H，6H）-diones：合成，氧化和与胺反应

  摘要：

  Acylation of 2H-thiopyran-3,5(4H,6H)-dione and 2-methyl-2H-thiopyran-3,5(4H,6H)-dione with acetyl chloride or propionyl chloride afforded the corresponding 4-acyl-2H-thiopyran-3,5(4H,6H)-diones. Oxidation of 4-acetyl-2H-thiopyran-3,5(4H,6H)-dione with m-chloroperoxybenzoic acid gave 4-acetyl-2H-thiopyran-3,5(4H,6H)-dione I-oxide. 4-Acyl-2H-thiopyran-3,5(4H,6H)-diones and 4-acetyl-2H-thiopyran3,5(4H,6H)-dione I-oxide reacted with pyrrolidine, allylamine, and p-anisidine, resulting in formation of the corresponding 4-aminomethylene derivatives.

  DOI：

  10.1023/b:rujo.0000019742.81245.f7

文献信息

• 4-Acyl-2H-thiopyran-3,5(4H,6H)-diones: Synthesis, Oxidation, and Reaction with Amines
  作者：T. A. Zheldakova、M. V. Budnikova、I. L. Rubinova、D. B. Rubinov

  DOI：10.1023/b:rujo.0000019742.81245.f7

  日期：2003.12

  Acylation of 2H-thiopyran-3,5(4H,6H)-dione and 2-methyl-2H-thiopyran-3,5(4H,6H)-dione with acetyl chloride or propionyl chloride afforded the corresponding 4-acyl-2H-thiopyran-3,5(4H,6H)-diones. Oxidation of 4-acetyl-2H-thiopyran-3,5(4H,6H)-dione with m-chloroperoxybenzoic acid gave 4-acetyl-2H-thiopyran-3,5(4H,6H)-dione I-oxide. 4-Acyl-2H-thiopyran-3,5(4H,6H)-diones and 4-acetyl-2H-thiopyran3,5(4H,6H)-dione I-oxide reacted with pyrrolidine, allylamine, and p-anisidine, resulting in formation of the corresponding 4-aminomethylene derivatives.