Diisopropyl-phosphoramidous acid 3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-1-(2-nitro-phenyl)-propyl ester 2-cyano-ethyl ester | 168329-40-6

• 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: Diisopropyl-phosphoramidous acid 3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-1-(2-nitro-phenyl)-propyl ester 2-cyano-ethyl ester
• CAS: 168329-40-6
• 化学式: C₃₉H₄₆N₃O₇P
• 分子量: 699.784
• InChiKey: KHOFWXQDBRVNMM-UHFFFAOYSA-N

物化性质

• 沸点：
  747.3±60.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.34
• 重原子数：
  50.0
• 可旋转键数：
  19.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  116.32
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  Diisopropyl-phosphoramidous acid 3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-1-(2-nitro-phenyl)-propyl ester 2-cyano-ethyl ester 、 alkaline earth salt of/the/ methylsulfuric acid 生成 4-[2-[2-[2-[2-[2-[2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxy-1-(2-nitrophenyl)propoxy]-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxybutanoic acid
  参考文献：
  名称：

  A novel carboxy-functionalized photocleavable dinucleotide analog for the selection of RNA catalysts

  摘要：

  A new multifunctional dinucleotide analog is synthesized for the application in in vitro selection experiments with linker-coupled reactants. For this purpose it contains a 5'-pCC ligation site, three flexible hexaethylene glycol spacers, a photocleavable o-nitrobenzyl unit and a 3'-terminal carboxy-function which can be derivatized with potential reactants as demonstrated with three model compounds. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01265-9
• 作为产物：
  描述：

  1-(2-硝基苯基)丁-3-烯-1-醇 在 4-二甲氨基吡啶 、 TEA 、 臭氧 、 N,N-二异丙基乙胺 作用下， 以 吡啶 、 甲醇 、 二氯甲烷 为溶剂， 生成 Diisopropyl-phosphoramidous acid 3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-1-(2-nitro-phenyl)-propyl ester 2-cyano-ethyl ester
  参考文献：
  名称：

  Genosnip: SNP Genotyping by MALDI-TOF MS Using Photocleavable Oligonucleotides

  摘要：

  A photocleavable o-nitrobenzyl CE phosphoramidite building-block was synthesised and incorporated within oligonucleotides. After allele-specific primer extension, desalting was performed using genostrep purification plates. Release of the SNP information containing part through photocleavage created shortened molecules that are easily accessible for MALDI-TOF analysis. Additionally, incorporation of mass modified nucleosides enables flexible design of multiplex genotyping.

  DOI：

  10.1081/ncn-120023038