1-((R)-1-{(S)-1-Aminomethyl-2-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-ethoxy}-ethyl)-5-methyl-1H-pyrimidine-2,4-dione | 173961-39-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1-((R)-1-{(S)-1-Aminomethyl-2-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-ethoxy}-ethyl)-5-methyl-1H-pyrimidine-2,4-dione
• CAS: 173961-39-2
• 化学式: C₃₁H₃₅N₃O₆
• 分子量: 545.635
• InChiKey: JUCASMQBOFYAOS-DFHRPNOPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.73
• 重原子数：
  40.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  117.8
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  1-((R)-1-{(S)-1-Aminomethyl-2-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-ethoxy}-ethyl)-5-methyl-1H-pyrimidine-2,4-dione 在 吡啶 、 ammonium hydroxide 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Oligonucleotides Containing Acyclic Nucleoside Analogues with Carbamate Internucleoside Linkages

  摘要：

  Synthesis of 2'-deoxy-2',3'-secothymidine t and its dimer t*t, where the two 2'-deoxy-2',3'-secothymidine t units are connected via a carbamate, *=3'-NH-CO-O-5', internucleoside linkage has been achieved. These building blocks were protected in the 5'-position, converted into their phosphoramidites, or attached onto CPG, and then used for ''chimeric oligonucleotide'' synthesis.

  DOI：

  10.1080/15257779508010708
• 作为产物：
  描述：

  5'-O-benzoyl-2'-deoxy-3'-O-mesyl-2',3'-secothymidine 在 palladium on activated charcoal 吡啶 、 ammonium hydroxide 、 sodium azide 、 氢气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-((R)-1-{(S)-1-Aminomethyl-2-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-ethoxy}-ethyl)-5-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Oligonucleotides Containing Acyclic Nucleoside Analogues with Carbamate Internucleoside Linkages

  摘要：

  Synthesis of 2'-deoxy-2',3'-secothymidine t and its dimer t*t, where the two 2'-deoxy-2',3'-secothymidine t units are connected via a carbamate, *=3'-NH-CO-O-5', internucleoside linkage has been achieved. These building blocks were protected in the 5'-position, converted into their phosphoramidites, or attached onto CPG, and then used for ''chimeric oligonucleotide'' synthesis.

  DOI：

  10.1080/15257779508010708