2'-deoxy-3',5'-bis-O-(tert-butyldimethylsilyl)-N4-(6-maleimidohexanoyl)cytidine | 1426954-33-7

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 2'-deoxy-3',5'-bis-O-(tert-butyldimethylsilyl)-N4-(6-maleimidohexanoyl)cytidine
• CAS: 1426954-33-7
• 化学式: C₃₁H₅₂N₄O₇Si₂
• 分子量: 648.947
• InChiKey: CUCMPKAUBOVTCQ-SXDGJLEOSA-N

物化性质

• 密度：
  1.14±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.37
• 重原子数：
  44.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  129.06
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2'-deoxy-3',5'-bis-O-(tert-butyldimethylsilyl)-N4-(6-maleimidohexanoyl)cytidine 、 5,6,9,10-tetrakis(heptyloxy)-1,3-diphenyl-2H-cyclopenta[l]phenanthren-2-one 以 二氯甲烷 为溶剂， 反应 0.5h， 以79%的产率得到C₈₈H₁₂₆N₄O₁₂Si₂
  参考文献：
  名称：

  Fluorogenic Diels–Alder reactions of novel phencyclone derivatives

  摘要：

  With the aim of obtaining fluorogenic Diels-Alder reactions, novel phencyclone derivatives were synthesized. In a short time and under convenient reaction conditions, the formation of Diels-Alder adducts was observed by color-change and up to 33-fold enhancement of fluorescence. The modification of thymidine and deoxycytidine derivatives with a maleimide side chain and their usage in fluorogenic Diels-Alder reaction is also reported. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.095
• 作为产物：
  描述：

  6-马来酰亚胺基己酸 、 2',3'-二-O-(叔-丁基二甲基硅烷基)-2'-脱氧胞苷 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以56%的产率得到2'-deoxy-3',5'-bis-O-(tert-butyldimethylsilyl)-N4-(6-maleimidohexanoyl)cytidine
  参考文献：
  名称：

  Fluorogenic Diels–Alder reactions of novel phencyclone derivatives

  摘要：

  With the aim of obtaining fluorogenic Diels-Alder reactions, novel phencyclone derivatives were synthesized. In a short time and under convenient reaction conditions, the formation of Diels-Alder adducts was observed by color-change and up to 33-fold enhancement of fluorescence. The modification of thymidine and deoxycytidine derivatives with a maleimide side chain and their usage in fluorogenic Diels-Alder reaction is also reported. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.095