5-Methyl-1-(2-pentylsulfinylethoxymethyl)pyrimidine-2,4-dione | 905985-19-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-Methyl-1-(2-pentylsulfinylethoxymethyl)pyrimidine-2,4-dione
• CAS: 905985-19-5
• 化学式: C₁₃H₂₂N₂O₄S
• 分子量: 302.395
• InChiKey: WCMWCQHBYMEZFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  94.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-Methyl-1-(2-pentylsulfinylethoxymethyl)pyrimidine-2,4-dione 在 双氧水 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以93%的产率得到5-Methyl-1-(2-pentylsulfonylethoxymethyl)pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis and Antitumor Activity of Novel 2-(Thymin-1′-ylmethoxy)ethyl Alkyl Sulfides and Their Oxidation Products

  摘要：

  A series of novel 2-(thymin-1'-ylmethoxy)ethyl alleyl sulfides have been synthesized in three steps from thymine. They have been oxidized into sulfoxide and sulfone derivatives by means of NalO(4) and H2O2 30%/diethyl azodicarboxylate (DEAD), respectively, in high yields. All products were characterized by (HNMR)-H-1 and IR spectra and elemental analyses. The preliminary bioassay indicates that the compound 6g exhibited potential antitumor activity.

  DOI：

  10.1080/104265090930353
• 作为产物：
  描述：

  1-戊硫醇 在 sodium periodate 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 5.0h， 生成 5-Methyl-1-(2-pentylsulfinylethoxymethyl)pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis and Antitumor Activity of Novel 2-(Thymin-1′-ylmethoxy)ethyl Alkyl Sulfides and Their Oxidation Products

  摘要：

  A series of novel 2-(thymin-1'-ylmethoxy)ethyl alleyl sulfides have been synthesized in three steps from thymine. They have been oxidized into sulfoxide and sulfone derivatives by means of NalO(4) and H2O2 30%/diethyl azodicarboxylate (DEAD), respectively, in high yields. All products were characterized by (HNMR)-H-1 and IR spectra and elemental analyses. The preliminary bioassay indicates that the compound 6g exhibited potential antitumor activity.

  DOI：

  10.1080/104265090930353