benzyl 4-amino>butylate | 158665-24-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: benzyl 4-amino>butylate
• 英文别名: Benzyl 4-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]butanoate
• CAS: 158665-24-8
• 化学式: C₁₆H₂₃NO₅
• 分子量: 309.362
• InChiKey: SWNLZVBPIMXNNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  95.9
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzyl 4-amino>butylate 在 四氮唑 、 4-二甲氨基吡啶 作用下， 以 吡啶 、 乙腈 为溶剂， 反应 13.0h， 生成 4-{3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-[(2-cyano-ethoxy)-diisopropylamino-phosphanyloxymethyl]-2-methyl-propionylamino}-butyric acid benzyl ester
  参考文献：
  名称：

  Molecular Design for a Pinpoint RNA Scission. Interposition of Oligoamines between Two DNA Oligomers¹

  摘要：

  Phosphoramidite monomers having a benzyl or ethyl ester in the side chain have been synthesized for the facile and selective functionalization of oligonucleotides. Various amino compounds were incorporated into the desired sites in oligonucleotides by aminolysis of the esters. The conjugates, in which oligoamines (catalysts for RNA hydrolysis) were interposed between two oligonucleotides, hydrolyzed RNA substrates at exactly the target sites, which was consistent with the results of a computer-modeling study.

  DOI：

  10.1021/jo9611780
• 作为产物：
  描述：

  苯甲醇 在 4-二甲氨基吡啶 、 溶剂黄146 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 30.0h， 生成 benzyl 4-amino>butylate
  参考文献：
  名称：

  High loaded dendrimers with free peripheral groups

  摘要：

  We report the synthesis of dendrons and dendrimers with branching units composed of two parts: a residue with biological activity and a branching molecule. This approach allows better exploitation of the dendritic architecture, giving to the scaffolding structure an 'active' role beyond the traditional one and leaving the peripheral groups unaffected and ready for diverse modifications in order to improve their potential performance in the drug delivery scenario. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.10.084

文献信息

• A novel phosphoramidite for the site-selective introduction of functional groups into oligonucleotides via versatile tethers
  作者：Masayuki Endo、Yoshitaka Saga、Makoto Komiyama

  DOI：10.1016/s0040-4039(00)78208-6

  日期：1994.8

  A phosphoramidite monomer, which has a benzyl ester moiety in the side chain and is useful for the site-selective introduction of functional groups into oligonucleotides via various tethers, has been synthesized.