(7-ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)-(3-methylphenyl)methanone | 526220-83-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: (7-ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)-(3-methylphenyl)methanone
• CAS: 526220-83-7
• 化学式: C₁₉H₁₉NO₂S
• 分子量: 325.431
• InChiKey: SDFNBQJWVCDYFQ-UHFFFAOYSA-N

物化性质

• 沸点：
  462.8±45.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.03
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (7-ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)-(3-methylphenyl)methanone 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 以78.16%的产率得到
  参考文献：
  名称：

  Synthesis of 4H-1,4-Benzothiazine-1,1-dioxides (Sulfones) and Phenothiazine-5,5-dioxides (Sulfones)

  摘要：

  The study of the oxidation behavior of 4H-1,4-benzothiazines and phenothiazines by 30% hydrogen peroxide in acetic acid results in the formation of 4H-1,4-benzothiazine-1,1-dioxides (sulfones) and 10H-phenothiazine-5,5-dioxides (sulfones) respectively. The purity of all the synthesized compounds has been checked by thin layer chromatography using silica "G" as an adsorbent in various nonaqueous solvent systems. Infra-red and proton-magnetic resonance spectral studies are also included.

  DOI：

  10.1080/104265090917790
• 作为产物：
  描述：

  2-氨基-5-乙氧基苯硫醇 、 1-(3-甲基苯基)丁烷-1,3-二酮 以 二甲基亚砜 为溶剂， 生成 (7-ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)-(3-methylphenyl)methanone
  参考文献：
  名称：

  Synthesis of 4H-1,4-Benzothiazine-1,1-dioxides (Sulfones) and Phenothiazine-5,5-dioxides (Sulfones)

  摘要：

  The study of the oxidation behavior of 4H-1,4-benzothiazines and phenothiazines by 30% hydrogen peroxide in acetic acid results in the formation of 4H-1,4-benzothiazine-1,1-dioxides (sulfones) and 10H-phenothiazine-5,5-dioxides (sulfones) respectively. The purity of all the synthesized compounds has been checked by thin layer chromatography using silica "G" as an adsorbent in various nonaqueous solvent systems. Infra-red and proton-magnetic resonance spectral studies are also included.

  DOI：

  10.1080/104265090917790

文献信息

• SYNTHESIS OF 7-ETHOXY-3-METHYL-4H-1,4-BENZOTHIAZINES
  作者：Thandi Lai Kachhee、Vandana Gupta、Rajani Gupta、D.C. Gautam

  DOI：10.1515/hc.2002.8.6.579

  日期：2002.1

  pharmacological activities'". Result and Discussions In the present work hitherto unknown 4H-l,4-benzothiazines have been synthesized by the condensation and oxidative cyclization of 2-amino-5-ethoxybenzenethiol I and active methylene compounds ΙΠ in DMSO. Under the experimental conditions 2-aminobenzenethiol I is readily oxidized to bis-(2-aminophenyl)disulphide Π. The reaction proceeds through the formation

  4H-1,4-苯并噻嗪的合成是通过 5-乙氧基-2氨基苯硫醇与 β-二酮在 DMSO 中的缩合来报道的。2-氨基苯硫醇很容易被氧化成双-(2氨基苯基)二硫化物，它与β-二酮反应通过中间体烯氨基酮的形成环化成4H-1,4-苯并噻嗪。引言 4H-1,4-苯并噻嗪衍生物具有广泛的生物活性，类似于吩噻嗪，这是由于沿氮-硫轴存在折叠，这是赋予药理活性的结构特异性。合成迄今未知的苯并噻嗪以使其具有药理活性被认为是值得的”。结果和讨论在目前未知的 4H-l 中，4-苯并噻嗪已通过2-氨基-5-乙氧基苯硫醇I和活性亚甲基化合物III在DMSO中的缩合和氧化环化合成。在实验条件下，2-氨基苯硫醇 I 很容易被氧化成双-（2-氨基苯基）二硫化物 Π。该反应通过中间体烯氨基酮 V 的形成进行。由于烯氨基酮系统 V 的 α 位对亲核攻击的高反应性，它们通过硫-硫键的断裂环化为 4H-1,4-苯并噻嗪 VII。合成苯并噻嗪所需的
• Synthesis of 4H-1,4-Benzothiazine-1,1-dioxides (Sulfones) and Phenothiazine-5,5-dioxides (Sulfones)
  作者：Thandi Lal Kachhee、Vandana Gupta、D. C. Gautam、R. R. Gupta

  DOI：10.1080/104265090917790

  日期：2005.10

  The study of the oxidation behavior of 4H-1,4-benzothiazines and phenothiazines by 30% hydrogen peroxide in acetic acid results in the formation of 4H-1,4-benzothiazine-1,1-dioxides (sulfones) and 10H-phenothiazine-5,5-dioxides (sulfones) respectively. The purity of all the synthesized compounds has been checked by thin layer chromatography using silica "G" as an adsorbent in various nonaqueous solvent systems. Infra-red and proton-magnetic resonance spectral studies are also included.