(2R,3S,5S)-5-(4-amino-5-(benzyloxy)-7-(methylamino)-2-oxopyrimido[4,5-d]pyrimidin-1(2H)-yl)-2-((4-methylphenylcarbonyloxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate | 1268383-09-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2R,3S,5S)-5-(4-amino-5-(benzyloxy)-7-(methylamino)-2-oxopyrimido[4,5-d]pyrimidin-1(2H)-yl)-2-((4-methylphenylcarbonyloxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate
• 英文别名: [(2R,3S,5S)-5-[4-amino-7-(methylamino)-2-oxo-5-phenylmethoxypyrimido[4,5-d]pyrimidin-1-yl]-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
• CAS: 1268383-09-0
• 化学式: C₃₅H₃₄N₆O₇
• 分子量: 650.691
• InChiKey: OQDUWSCGONYNKE-VJGNERBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  48
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  168
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-(but-3-enylamino)-6-chloro-2-(methylamino)pyrimidine-5-carbaldehyde 在 4-二甲氨基吡啶 、 sodium periodate 、 四氧化锇 、 盐酸羟胺 、 氨 、 sodium hydride 、 potassium hydrogencarbonate 、 N-甲基吗啉氧化物 、 三乙胺 、 三氟乙酸酐 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 1,2-二氯乙烷 、 丙酮 、 oil 、 叔丁醇 为溶剂， 反应 44.0h， 生成 (2R,3S,5R)-5-(4-amino-5-(benzyloxy)-7-(methylamino)-2-oxopyrimido[4,5-d]pyrimidin-1(2H)-yl)-2-((4-methylphenylcarbonyloxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate 、 (2R,3S,5S)-5-(4-amino-5-(benzyloxy)-7-(methylamino)-2-oxopyrimido[4,5-d]pyrimidin-1(2H)-yl)-2-((4-methylphenylcarbonyloxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate
  参考文献：
  名称：

  Synthesis of a β-glycoside functionalized GΛC motif for self-assembly into rosette nanotubes with predefined length

  摘要：

  Progress toward the synthesis of guanine cytosine (G Lambda C) oligonucleotides for the spontaneous self-assembly of rosette nanotubes (RNTs) with predefined length is described. Highlighted is the synthesis of the beta-glycoside functionalized G Lambda C base along with a new nitrogen protecting group strategy that is compatible with Boc and Bn groups. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.122

文献信息

• Synthesis of a β-glycoside functionalized GΛC motif for self-assembly into rosette nanotubes with predefined length
  作者：Rachel L. Beingessner、Julian A. Diaz、Usha D. Hemraz、Hicham Fenniri

  DOI：10.1016/j.tetlet.2010.11.122

  日期：2011.2

  Progress toward the synthesis of guanine cytosine (G Lambda C) oligonucleotides for the spontaneous self-assembly of rosette nanotubes (RNTs) with predefined length is described. Highlighted is the synthesis of the beta-glycoside functionalized G Lambda C base along with a new nitrogen protecting group strategy that is compatible with Boc and Bn groups. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.