3-phenoxymethyl-2,1,4-benzoxathiazine-1,1-dioxide | 946008-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 英文名称: 3-phenoxymethyl-2,1,4-benzoxathiazine-1,1-dioxide
• CAS: 946008-28-2
• 化学式: C₁₄H₁₁NO₄S
• 分子量: 289.312
• InChiKey: UIPZRQMLUOPLDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  64.96
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-phenoxymethyl-2,1,4-benzoxathiazine-1,1-dioxide 在 哌啶 、 盐酸 、 sodium carbonate 、 一水合肼 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 反应 12.76h， 生成
  参考文献：
  名称：

  Anchored Synthesis for Some Novel Mono and Disarylazo 1,2,4-Benzothiadiazine-Based Dyestuffs as Alternatives for Benzidine-Based Dyes

  摘要：

  A one mono and two disarylazo series of 1,2,4-benzothiadiazine-based dyestuffs has been synthesized with a view that these products, with their new all-round tinctorial properties, might find an application as new categories of direct dyes that satisfactorily replace prohibited benzidine-based dyes.The assigned structures for the hitherto prepared dyes were confirmed on the basis of elemental analysis as well as spectral data and, whenever possible, by alternative synthetic routes. Moreover, the predominant tautomeric structures for these highly colored products were tested and discussed on the basis of their spectral behavior.

  DOI：

  10.1080/10426500600605863
• 作为产物：
  描述：

  2-氨基苯磺酸 在 五氯化磷 、 乙酸酐 作用下， 反应 11.0h， 生成 3-phenoxymethyl-2,1,4-benzoxathiazine-1,1-dioxide
  参考文献：
  名称：

  Anchored Synthesis for Some Novel Mono and Disarylazo 1,2,4-Benzothiadiazine-Based Dyestuffs as Alternatives for Benzidine-Based Dyes

  摘要：

  A one mono and two disarylazo series of 1,2,4-benzothiadiazine-based dyestuffs has been synthesized with a view that these products, with their new all-round tinctorial properties, might find an application as new categories of direct dyes that satisfactorily replace prohibited benzidine-based dyes.The assigned structures for the hitherto prepared dyes were confirmed on the basis of elemental analysis as well as spectral data and, whenever possible, by alternative synthetic routes. Moreover, the predominant tautomeric structures for these highly colored products were tested and discussed on the basis of their spectral behavior.

  DOI：

  10.1080/10426500600605863