N-{2-[5-Methyl-2,6-dioxo-3-((2R,3aS,9aR)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-2-yl)-3,6-dihydro-2H-pyrimidin-1-yl]-ethyl}-2-pyren-1-yl-acetamide | 719306-53-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: N-{2-[5-Methyl-2,6-dioxo-3-((2R,3aS,9aR)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-2-yl)-3,6-dihydro-2H-pyrimidin-1-yl]-ethyl}-2-pyren-1-yl-acetamide
• CAS: 719306-53-3
• 化学式: C₄₂H₅₅N₃O₇Si₂
• 分子量: 770.086
• InChiKey: UTXZSOHOOUGKKB-QOZRZDGHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.82
• 重原子数：
  54.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  110.02
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  N-{2-[5-Methyl-2,6-dioxo-3-((2R,3aS,9aR)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-2-yl)-3,6-dihydro-2H-pyrimidin-1-yl]-ethyl}-2-pyren-1-yl-acetamide 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以76%的产率得到N-[2-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]ethyl]-2-pyren-1-ylacetamide
  参考文献：
  名称：

  Multiple-pyrene residues arrayed along DNA backbone exhibit significant excimer fluorescence

  摘要：

  Oligodeoxyribonuelcotides (ODNs) carrying multi-pyrene clusters were chemically prepared by introducing a novel nucleoside-pyrene conjugate into ODNs. The multi-pyrene residues arrayed on DNA strands induced significant excimer fluorescence and the intensity was exponentially increased as the number of pyrene residues in clusters increased. The excimer fluorescence of the arrays was stable and was not quenched by duplex formation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.03.074
• 作为产物：
  描述：

  3',5'-TIPS-脱氧胸苷 在 盐酸 、 Trifluor-acetylnitrit 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 N-{2-[5-Methyl-2,6-dioxo-3-((2R,3aS,9aR)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-2-yl)-3,6-dihydro-2H-pyrimidin-1-yl]-ethyl}-2-pyren-1-yl-acetamide
  参考文献：
  名称：

  Multiple-pyrene residues arrayed along DNA backbone exhibit significant excimer fluorescence

  摘要：

  Oligodeoxyribonuelcotides (ODNs) carrying multi-pyrene clusters were chemically prepared by introducing a novel nucleoside-pyrene conjugate into ODNs. The multi-pyrene residues arrayed on DNA strands induced significant excimer fluorescence and the intensity was exponentially increased as the number of pyrene residues in clusters increased. The excimer fluorescence of the arrays was stable and was not quenched by duplex formation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.03.074