| 1337923-68-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• CAS: 1337923-68-8
• 化学式: C₃₀H₅₇N₅O₈
• 分子量: 615.811
• InChiKey: FHTCJYKZYDXWEJ-UHFFFAOYSA-N

物化性质

• 沸点：
  663.5±55.0 °C(Predicted)
• 密度：
  1.078±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.54
• 重原子数：
  43.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  130.19
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以40%的产率得到N-(2-aminoethyl)cyclen
  参考文献：
  名称：

  The Zn²⁺Complex of 1,4,7,10-Tetraazacyclododecane as an Artificial Nucleobase

  摘要：

  {2-Deoxy-3-O-[2-cyanoethoxy(diisopropylamino)phosphino]-5-O-(4,4'-dimethoxytrityl)-alpha-Derythro-pentofuranosyl -N-{2-[4, 7, 10-tris(2,2,2-trifluoroacetyl)-1,4, 7, 10-tetraazacyclododecan-1-yl] ethyl acetamide (I) was prepared and incorporated into a 2'-O-methyl oligoribonucleotide. The hybridization, of this oligonucleotide with complementary 2'-O-methyl oligoribonucleotides incorporating one to five uracil bases opposite to the azacrown structure was studied in the absence and presence of Zn2+ Introduction of Zn2+ moderately stabilized the duplex with U-bulged targets.

  DOI：

  10.1080/15257770.2011.583809
• 作为产物：
  描述：

  N-{2-[4,7,10-tris(tert-butoxycarbonyl)-1,4,7,10-tetraazacyclododecan-1-yl]ethyl}-N-(tert-butoxycarbonyl)-4-nitrobenzenesulfonamide 在 巯基乙酸 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 以46%的产率得到
  参考文献：
  名称：

  The Zn²⁺Complex of 1,4,7,10-Tetraazacyclododecane as an Artificial Nucleobase

  摘要：

  {2-Deoxy-3-O-[2-cyanoethoxy(diisopropylamino)phosphino]-5-O-(4,4'-dimethoxytrityl)-alpha-Derythro-pentofuranosyl -N-{2-[4, 7, 10-tris(2,2,2-trifluoroacetyl)-1,4, 7, 10-tetraazacyclododecan-1-yl] ethyl acetamide (I) was prepared and incorporated into a 2'-O-methyl oligoribonucleotide. The hybridization, of this oligonucleotide with complementary 2'-O-methyl oligoribonucleotides incorporating one to five uracil bases opposite to the azacrown structure was studied in the absence and presence of Zn2+ Introduction of Zn2+ moderately stabilized the duplex with U-bulged targets.

  DOI：

  10.1080/15257770.2011.583809