(2R,4R,5R,6S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one | 173099-61-1

• 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,4R,5R,6S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
• CAS: 173099-61-1
• 化学式: C₃₆H₄₂N₂O₇Si
• 分子量: 642.824
• InChiKey: COSHMPPTTGGJIX-WPXCQFTPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.32
• 重原子数：
  46
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  88
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (2R,4R,5R,6S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one 在 tert-butyl-ammonium fluoride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以95%的产率得到2,2'-anhydro-5'-O-(4,4'-dimethoxytrityl)uridine
  参考文献：
  名称：

  Internal Derivatization of Oligonucleotides with Selenium for X-ray Crystallography Using MAD

  摘要：

  We have developed a route for the synthesis of 2'-selenium uridine analogues and oligonucleotides containing selenium labels, and have demonstrated for the first time a new strategy to covalently derivatize nucleotides with selenium for phase and structure determination in X-ray crystallography.

  DOI：

  10.1021/ja0171097
• 作为产物：
  描述：

  5'-O-[二(4-甲氧基苯基)苯基甲基]-3'-O-[(叔丁基)二甲基硅烷基]尿苷 在 sodium carbonate 、 四己基硫酸氢铵 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.33h， 生成 (2R,4R,5R,6S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
  参考文献：
  名称：

  Internal Derivatization of Oligonucleotides with Selenium for X-ray Crystallography Using MAD

  摘要：

  We have developed a route for the synthesis of 2'-selenium uridine analogues and oligonucleotides containing selenium labels, and have demonstrated for the first time a new strategy to covalently derivatize nucleotides with selenium for phase and structure determination in X-ray crystallography.

  DOI：

  10.1021/ja0171097

文献信息

• Internal Derivatization of Oligonucleotides with Selenium for X-ray Crystallography Using MAD
  作者：Quan Du、Nicolas Carrasco、Marianna Teplova、Christopher J. Wilds、Martin Egli、Zhen Huang

  DOI：10.1021/ja0171097

  日期：2002.1.1

  We have developed a route for the synthesis of 2'-selenium uridine analogues and oligonucleotides containing selenium labels, and have demonstrated for the first time a new strategy to covalently derivatize nucleotides with selenium for phase and structure determination in X-ray crystallography.