N3-benzoyl-N1-crotyl-5-(phenylthio)uracil | 1023339-25-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N3-benzoyl-N1-crotyl-5-(phenylthio)uracil
• 英文别名: N³-benzoyl-N¹-crotyl-5-(phenylthio)uracil
• CAS: 1023339-25-4
• 化学式: C₂₁H₁₈N₂O₃S
• 分子量: 378.452
• InChiKey: LOFUCYUMOHHPSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.43
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  61.07
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N3-benzoyl-N1-crotyl-5-(phenylthio)uracil 在 氨 作用下， 以 甲醇 为溶剂， 反应 22.0h， 以2.27 g的产率得到N¹-crotyl-5-(phenylthio)uracil
  参考文献：
  名称：

  Preparation of acyclo nucleoside phosphonate analogues based on cross-metathesis

  摘要：

  In our on-going program targeting anti-pox activity, we report here the synthesis of hitherto unknown acyclic nucleoside phosphonates using olefin cross-metathesis (CM) as a key assembly step. Modification at the C-5 position of the uracil moiety was performed under optimized Pd(0)-catalyzed Stille cross-coupling conditions. None of the obtained compounds were active against poxviruses, nor do they exhibit any toxicity. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.140
• 作为产物：
  描述：

  N¹-crotyl-5-(phenylthio)uracil 、 苯甲酰氯 在 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以80%的产率得到N3-benzoyl-N1-crotyl-5-(phenylthio)uracil
  参考文献：
  名称：

  Preparation of acyclo nucleoside phosphonate analogues based on cross-metathesis

  摘要：

  In our on-going program targeting anti-pox activity, we report here the synthesis of hitherto unknown acyclic nucleoside phosphonates using olefin cross-metathesis (CM) as a key assembly step. Modification at the C-5 position of the uracil moiety was performed under optimized Pd(0)-catalyzed Stille cross-coupling conditions. None of the obtained compounds were active against poxviruses, nor do they exhibit any toxicity. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.140