benzyl 4--2-(hydroxymethyl)propionyl>amino>butylate | 158665-25-9

• 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: benzyl 4--2-(hydroxymethyl)propionyl>amino>butylate
• 英文别名: benzyl 4-[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-2-methylpropanoyl]amino]butanoate
• CAS: 158665-25-9
• 化学式: C₃₇H₄₁NO₇
• 分子量: 611.735
• InChiKey: FOZGDNZKZNGOPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.65
• 重原子数：
  45.0
• 可旋转键数：
  16.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  103.32
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  benzyl 4--2-(hydroxymethyl)propionyl>amino>butylate 、 Diisopropyl-phosphoramidous acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-{6-[2-(4-tert-butyl-phenoxy)-acetylamino]-purin-9-yl}-tetrahydro-furan-3-yl ester 2-cyano-ethyl ester 在 2,6-二甲基吡啶 、 四氮唑 、 碘 作用下， 生成
  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：

  2,2-二羟甲基丙酸 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 benzyl 4--2-(hydroxymethyl)propionyl>amino>butylate
  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

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.