1-[(2R,4S,5R)-4-(tert-Butyl-diphenyl-silanyloxy)-5-[1,3]dithian-2-ylidenemethyl-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione | 164254-07-3

• 分子结构分类: 有机化合物
• 英文名称: 1-[(2R,4S,5R)-4-(tert-Butyl-diphenyl-silanyloxy)-5-[1,3]dithian-2-ylidenemethyl-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
• CAS: 164254-07-3
• 化学式: C₃₀H₃₆N₂O₄S₂Si
• 分子量: 580.844
• InChiKey: CKYGFRZSIKQZCC-UODIDJSMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.79
• 重原子数：
  39.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  73.32
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  1-[(2R,4S,5R)-4-(tert-Butyl-diphenyl-silanyloxy)-5-[1,3]dithian-2-ylidenemethyl-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione 在 sodium hydroxide 、 mercury dichloride 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetic acid
  参考文献：
  名称：

  Comparison of two amides as backbone replacement of the phosphodiester linkage in oligodeoxynucleotides

  摘要：

  The two isomeric amide modifications 1 and 2 show similar effects on the melting temperature of RNA/DNA duplexes, when they replace the natural phosphodiester linkage in the DNA strand. The synthesis of the amide dimer 1 is presented.

  DOI：

  10.1016/s0040-4039(00)77069-9
• 作为产物：
  描述：

  1-(2-deoxy-3-O-tert-butyldiphenylsilyl-β-D-erythro-pentadialdo-1,4-furanosyl)-5-methyluracil 、 1,3-dithia-2-cyclohexylidene triphenylphosphorane 以 四氢呋喃 为溶剂， 以80%的产率得到1-[(2R,4S,5R)-4-(tert-Butyl-diphenyl-silanyloxy)-5-[1,3]dithian-2-ylidenemethyl-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Comparison of two amides as backbone replacement of the phosphodiester linkage in oligodeoxynucleotides

  摘要：

  The two isomeric amide modifications 1 and 2 show similar effects on the melting temperature of RNA/DNA duplexes, when they replace the natural phosphodiester linkage in the DNA strand. The synthesis of the amide dimer 1 is presented.

  DOI：

  10.1016/s0040-4039(00)77069-9