[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methoxyphosphanyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate | 130277-22-4

• 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: [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methoxyphosphanyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
• CAS: 130277-22-4
• 化学式: C₄₄H₄₉N₄O₁₄P
• 分子量: 888.865
• InChiKey: UKANFCBDSRBJCV-DFMHVPIKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  63
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  199
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methoxyphosphanyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate 在 四氮唑 、 、 水 、 氢气 、 sodium hydride 作用下， 生成
  参考文献：
  名称：

  Helinski, Jan; Dabkowski, Wojciech; Michalski, Jan, Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 76, # 1-4, p. 135 - 138

  摘要：

  DOI：
• 作为产物：
  描述：

  3'-O-acetylthymidine 在 四氮唑 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 1.33h， 生成 [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methoxyphosphanyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
  参考文献：
  名称：

  Preparation and¹⁷O NMR Spectra of¹⁷O-Labeled Thymidine 5′-Phosphate Triesters, Alkylphosphonates, Dialkylphosphinates, and Phosphoramidates

  摘要：

  The O-17 chemical shifts of the title compounds cover a range of values and appear to be useful for the assignment of structure. However, the individual diastereomers of derivatives containing a stereogenic phosphorus center did not display discernably different O-17 chemical shifts.

  DOI：

  10.1080/15257779508010681

文献信息

• BIS-(<i>N</i>,<i>N</i>-DIALKYLAMINO)-ALKOXYPHOSPHINES AS A NEW CLASS OF PHOSPHITE COUPLING AGENT FOR THE SYNTHESIS OF OLIGONUCLEOTIDES
  作者：Hyun-Jae Lee、Sung-Hwan Moon

  DOI：10.1246/cl.1984.1229

  日期：1984.7.5

  A new class of bifunctional phosphitylating agent which is stable but readily activatable for the efficient synthesis of oligonucleotides is described.

  描述了一类新的双功能磷酸化剂，它稳定但易于激活，用于有效合成寡核苷酸。
• O-Methyl-bis-O-(4-nitrophenyl)phosphite: a novel chemoselective O-phosphitylating reagent
  作者：Wojciech Dabkowski、Łucja Kazimierczak

  DOI：10.1016/j.tetlet.2009.06.102

  日期：2009.9

  A novel chemoselective O-phosphitylating reagent containing two aryloxy leaving groups at a P(III) center is developed for selective formation of P(Ill) esters from amino alcohols without the need to protect the amino group. The reagent proved to be highly convenient for the synthesis of dinucleotides, P(III)-F structures, and cyclic P(III) nucleotides. (C) 2009 Elsevier Ltd. All rights reserved.
• Spielvogel, Bernard F.; Sood, Anup; Shaw, Barbara Ramsay, Pure and Applied Chemistry, 1991, vol. 63, p. 415 - 418
  作者：Spielvogel, Bernard F.、Sood, Anup、Shaw, Barbara Ramsay、Hall, Iris H.

  DOI：——

  日期：——
• SOOD, ANUP;SHAW, BARBARA RAMSAY;SPIELVOGEL, BERNARD F., J. AMER. CHEM. SOC., 112,(1990) N4, C. 9000-9001
  作者：SOOD, ANUP、SHAW, BARBARA RAMSAY、SPIELVOGEL, BERNARD F.

  DOI：——

  日期：——