(3,4-dimethyl-phenyl)-3-(3-p-tolyl-oxiran-2-yl)-methanone | 1027136-29-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3,4-dimethyl-phenyl)-3-(3-p-tolyl-oxiran-2-yl)-methanone
• 英文别名: (3,4-Dimethylphenyl)-[3-(4-methylphenyl)oxiran-2-yl]methanone
• CAS: 1027136-29-3
• 化学式: C₁₈H₁₈O₂
• 分子量: 266.34
• InChiKey: VCIHCVANBXMWEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  29.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3,4-dimethyl-phenyl)-3-(3-p-tolyl-oxiran-2-yl)-methanone 在 氢氧化钾 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 7.0h， 生成 7-(3,4-dimethyl-phenyl)-5-p-tolyl-tetrahydro-7H-thiazolo[3,2-a]pyrimidine-3,6-dione
  参考文献：
  名称：

  A Novel Synthesis of Some New Pyrimidine and Thiazolopyrimidine Derivatives for Anticancer Evaluation

  摘要：

  Diaryl-oxiran-2-yl methanones ( 2) were prepared and reacted with thiourea to give 2-thioxo-tetrahydro-pyrimidine-5(2H)-ones ( 3). The latter compounds reacted with bromoacetic acid to afford the title compounds ( 4). Also some new derivatives were prepared from the reaction of compounds ( 3) and ( 4) with different reagents. Compounds ( 3) were glycosidated with 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosylbromide (alpha-ABG) to afford the corresponding nucleosides.

  DOI：

  10.1080/10426500701313912
• 作为产物：
  描述：

  1-(3,4-dimethyl-phenyl)-3-p-tolyl-propenone 在 sodium hydroxide 、 双氧水 作用下， 以 甲醇 、 丙酮 为溶剂， 以80%的产率得到(3,4-dimethyl-phenyl)-3-(3-p-tolyl-oxiran-2-yl)-methanone
  参考文献：
  名称：

  A Novel Synthesis of Some New Pyrimidine and Thiazolopyrimidine Derivatives for Anticancer Evaluation

  摘要：

  Diaryl-oxiran-2-yl methanones ( 2) were prepared and reacted with thiourea to give 2-thioxo-tetrahydro-pyrimidine-5(2H)-ones ( 3). The latter compounds reacted with bromoacetic acid to afford the title compounds ( 4). Also some new derivatives were prepared from the reaction of compounds ( 3) and ( 4) with different reagents. Compounds ( 3) were glycosidated with 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosylbromide (alpha-ABG) to afford the corresponding nucleosides.

  DOI：

  10.1080/10426500701313912