ethyl 4-(2-chlorophenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate | 1173788-95-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 4-(2-chlorophenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• CAS: 1173788-95-8
• 化学式: C₂₁H₂₁ClN₂O₅S
• 分子量: 448.927
• InChiKey: KTUREQCPXUAVCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  Ethyl 6-(bromomethyl)-4-(2-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 、 sodium 4-methylbenzenesulfinate 在 PEG-400 作用下， 以 水 为溶剂， 反应 24.0h， 以90%的产率得到ethyl 4-(2-chlorophenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
  参考文献：
  名称：

  General and Green Synthesis of C-6 Sulfonylmethyl 4-Aryl-3,4-dihydropyrimidinones in Water

  摘要：

  A simple, inexpensive, and green reaction permitting the synthesis of new C-6 arylsulfonylmethyl 4-aryl-3,4-dihydropyrimidinones in water by S-alkylation of 6-bromomethyl 3,4-dihydropyrimidinones 2 with benzenesulfinic acid anions 3 is reported. The required 6-bromomethyldihydropyrimidone precursors 2 were readily prepared using an organic solid brominating reagent.

  DOI：

  10.1080/00397910802654682

文献信息

• General and Green Synthesis of C-6 Sulfonylmethyl 4-Aryl-3,4-dihydropyrimidinones in Water
  作者：Zheng-Jun Quan、Qiang-Bing Wei、Dong-Dong Ma、Yu-Xia Da、Xi-Cun Wang、Mao-Sen Shen

  DOI：10.1080/00397910802654682

  日期：2009.5.22

  A simple, inexpensive, and green reaction permitting the synthesis of new C-6 arylsulfonylmethyl 4-aryl-3,4-dihydropyrimidinones in water by S-alkylation of 6-bromomethyl 3,4-dihydropyrimidinones 2 with benzenesulfinic acid anions 3 is reported. The required 6-bromomethyldihydropyrimidone precursors 2 were readily prepared using an organic solid brominating reagent.