[(2S,3S,3aS,6R,6aR)-3-hydroxy-2-[[1-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]triazol-4-yl]methoxy]-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl] benzoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2S,3S,3aS,6R,6aR)-3-hydroxy-2-[[1-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]triazol-4-yl]methoxy]-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl] benzoate
• 化学式: C₈H₈ClN₂OPol
• 分子量: 621.6
• InChiKey: IKZDKKHVIBSOAD-MNTKNDENSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  44
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  174
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  [(2S,3S,3aS,6R,6aR)-3-hydroxy-2-[[1-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]triazol-4-yl]methoxy]-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl] benzoate 在 氢氟酸 作用下， 反应 1.5h， 生成 7-Chloro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one
  参考文献：
  名称：

  Solid-phase synthesis of N-substituted 3,4-dihydroquinazolinone derivatives

  摘要：

  An efficient solid-phase synthetic approach for the synthesis of N-substituted 3, 4-dihydroquinazolinone derivatives has been developed. Four different 2-nitrobenzoic acids and three different 2-phenylacetyl chlorides were employed in the synthesis of this library. After purification, all products were obtained in good yields. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.034
• 作为产物：
  描述：

  resolvin E1(1-) 在 tin(ll) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 [(2S,3S,3aS,6R,6aR)-3-hydroxy-2-[[1-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]triazol-4-yl]methoxy]-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl] benzoate
  参考文献：
  名称：

  2,3,4,5-四氢-1 H-苯并[ e ] [1,4]二氮杂pine衍生物的固相合成

  摘要：

  我们已经开发出一种有效的固相合成方法，用于合成2,3,4,5-四氢-1 H-苯并[ e ] [1,4]二氮杂pine衍生物。该方法对于这些潜在的生物活性分子的高通量合成是有价值的。

  DOI：

  10.1016/j.tetlet.2011.05.138

文献信息

• Fmoc-SPPS chemistry compatible approach for the generation of (glyco)peptide aryl thioesters
  作者：Ji-Shen Zheng、Wei-Xian Xi、Feng-Liang Wang、Juan Li、Qing-Xiang Guo

  DOI：10.1016/j.tetlet.2011.03.064

  日期：2011.5

  for the general Fmoc-based solid-phase synthesis of (glyco)peptide aryl thioesters. A peptide alkyl oxoester obtained by standard Fmoc-based chain elongation undergoes an O-to-S acyl shift, and is followed by alkyl thioester exchanges with a large excess of aryl thiol, affording the corresponding peptide aryl thioester. The newly developed methodology is useful for the chemical synthesis of post-translationally

  描述了一种新的方法，用于一般的基于Fmoc的（糖）肽芳基硫酯固相合成。通过标准的基于Fmoc的链延长获得的肽烷基氧代酯经历O到S酰基转移，然后与大量过量的芳基硫醇进行烷基硫酯交换，得到相应的肽芳基硫酯。新开发的方法由于与标准Fmoc-SPPS条件兼容，因此可用于化学合成翻译后修饰的蛋白质。另外，肽芳基硫酯是通过动力学控制的收敛策略化学合成蛋白质的重要​​中间体。
• Solid-phase synthesis of 2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine derivatives
  作者：Zhang Liu、Wenteng Chen、Marc A. Giulianotti、Richard A. Houghten

  DOI：10.1016/j.tetlet.2011.05.138

  日期：2011.8

  We have developed an efficient solid-phase synthetic approach for the synthesis of 2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine derivatives. The methodology is of value for high throughput synthesis of these potentially bioactive molecules.

  我们已经开发出一种有效的固相合成方法，用于合成2,3,4,5-四氢-1 H-苯并[ e ] [1,4]二氮杂pine衍生物。该方法对于这些潜在的生物活性分子的高通量合成是有价值的。
• Solid-phase synthesis of N-substituted 3,4-dihydroquinazolinone derivatives
  作者：Zhang Liu、Lili Ou、Marc A. Giulianotti、Richard A. Houghten

  DOI：10.1016/j.tetlet.2011.03.034

  日期：2011.5

  An efficient solid-phase synthetic approach for the synthesis of N-substituted 3, 4-dihydroquinazolinone derivatives has been developed. Four different 2-nitrobenzoic acids and three different 2-phenylacetyl chlorides were employed in the synthesis of this library. After purification, all products were obtained in good yields. (C) 2011 Elsevier Ltd. All rights reserved.