1-(2,3-dibromopropyl)thymine | 195508-04-4

• 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: 1-(2,3-dibromopropyl)thymine
• 英文别名: 1-(2,3-Dibromopropyl)-5-methyl-2,4(1H,3H)-pyrimidinedione；1-(2,3-dibromopropyl)-5-methylpyrimidine-2,4-dione
• CAS: 195508-04-4
• 化学式: C₈H₁₀Br₂N₂O₂
• 分子量: 325.988
• InChiKey: SEUBAKOKCMIVCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2,3-dibromopropyl)thymine 在 sodium azide 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 2-azidomethyl-2,3-dihydro-6-methyl-7H-oxazolo-<3,2-a>pyrimidin-7-one
  参考文献：
  名称：

  The Synthesis of Novel 6,5- and 6,6-Membered Fused Heterocyclic Compounds Derived from Thymine

  摘要：

  Novel pyrimido[1,2-a]pyrimidinones 14, 15 and 16 and imidazo[1,2-a] pyrimidinones 19 and 20, designed as conformationally constrained analogues of 1-(3-amino-2-hydroxypropyl)thymine and 1-(2-amino-3-hydroxypropyl)thymine, respective ly, were synthesized by the ring-opening/ ring-closure rearrangement of the corresponding byciclic oxygen-containing amino compounds 12 and 17.

  DOI：

  10.1080/15257770008033849
• 作为产物：
  描述：

  1-烯丙基-5-甲基嘧啶-2,4(1H,3H)-二酮 在 溴 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以80.7%的产率得到1-(2,3-dibromopropyl)thymine
  参考文献：
  名称：

  The Synthesis of Novel 6,5- and 6,6-Membered Fused Heterocyclic Compounds Derived from Thymine

  摘要：

  Novel pyrimido[1,2-a]pyrimidinones 14, 15 and 16 and imidazo[1,2-a] pyrimidinones 19 and 20, designed as conformationally constrained analogues of 1-(3-amino-2-hydroxypropyl)thymine and 1-(2-amino-3-hydroxypropyl)thymine, respective ly, were synthesized by the ring-opening/ ring-closure rearrangement of the corresponding byciclic oxygen-containing amino compounds 12 and 17.

  DOI：

  10.1080/15257770008033849

文献信息

• The Synthesis of Novel 6,5- and 6,6-Membered Fused Heterocyclic Compounds Derived from Thymine
  作者：Milan Jokić、Zlatica Raza、Darinka Katalenić

  DOI：10.1080/15257770008033849

  日期：2000.9

  Novel pyrimido[1,2-a]pyrimidinones 14, 15 and 16 and imidazo[1,2-a] pyrimidinones 19 and 20, designed as conformationally constrained analogues of 1-(3-amino-2-hydroxypropyl)thymine and 1-(2-amino-3-hydroxypropyl)thymine, respective ly, were synthesized by the ring-opening/ ring-closure rearrangement of the corresponding byciclic oxygen-containing amino compounds 12 and 17.