N-[[3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxofuro[2,3-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroacetamide | 120016-99-1

• 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: N-[[3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxofuro[2,3-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroacetamide
• CAS: 120016-99-1
• 化学式: C₃₅H₃₂F₃N₃O₈
• 分子量: 679.65
• InChiKey: KSZJLULHTMPQER-FRXPANAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  49
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  三氟乙酸乙酯 、 N-[[3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxofuro[2,3-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroacetamide 在 ammonium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 36.0h， 以50%的产率得到N-[[3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  Ends free and self-quenched molecular beacon with pyrene labeled pyrrolocytidine in the middle of the stem

  摘要：

  Pyrene labeled pyrrolocytidine was incorporated into an oligonucleotide to construct ends free and self-quenched molecular beacon in which the fluorophore containing pyrrolocytidine was placed in the middle of the stem and used for the detection of a target DNA with an excellent efficiency. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.093
• 作为产物：
  描述：

  2,2,2-trifluoro-N-[[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxofuro[2,3-d]pyrimidin-6-yl]methyl]acetamide 、 4,4'-双甲氧基三苯甲基氯 在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 12.0h， 以84%的产率得到N-[[3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxofuro[2,3-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  Ends free and self-quenched molecular beacon with pyrene labeled pyrrolocytidine in the middle of the stem

  摘要：

  Pyrene labeled pyrrolocytidine was incorporated into an oligonucleotide to construct ends free and self-quenched molecular beacon in which the fluorophore containing pyrrolocytidine was placed in the middle of the stem and used for the detection of a target DNA with an excellent efficiency. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.093

文献信息

• Ends free and self-quenched molecular beacon with pyrene labeled pyrrolocytidine in the middle of the stem
  作者：Yoshio Saito、Yuta Shinohara、Subhendu Sekhar Bag、Yoshiki Takeuchi、Katsuhiko Matsumoto、Isao Saito

  DOI：10.1016/j.tet.2008.10.093

  日期：2009.1

  Pyrene labeled pyrrolocytidine was incorporated into an oligonucleotide to construct ends free and self-quenched molecular beacon in which the fluorophore containing pyrrolocytidine was placed in the middle of the stem and used for the detection of a target DNA with an excellent efficiency. (c) 2008 Elsevier Ltd. All rights reserved.