1-((3aR,4R,6R,6aR)-6-Hydroxymethyl-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-5-phenylselanyl-1H-pyrimidine-2,4-dione | 116431-66-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-((3aR,4R,6R,6aR)-6-Hydroxymethyl-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-5-phenylselanyl-1H-pyrimidine-2,4-dione
• 英文别名: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-phenylselanylpyrimidine-2,4-dione
• CAS: 116431-66-4
• 化学式: C₁₈H₂₀N₂O₆Se
• 分子量: 439.327
• InChiKey: MPGZCMZOASSQCQ-XKVFNRALSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  97.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  二苯基二硒醚 、 2',3'-O-isopropylidene-5-bromouridine 在 sodium hydride 作用下， 以43%的产率得到1-((3aR,4R,6R,6aR)-6-Hydroxymethyl-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-5-phenylselanyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Electrophilic ipso-Substitution of 5-Bromouridines with Diaryl Disulfides. Novel Synthesis of 5-Arylthiouridines

  摘要：

  DOI：

  10.3987/r-1987-12-3089

文献信息

• Direct regioselective arylsulfenylation and arylselenenylation at 5-position of uracils mediated by silver reagents
  作者：Chun Ho Lee、Yong Hae Kim

  DOI：10.1016/s0040-4039(00)79934-5

  日期：1991.5

  Electrophilic additions of phenylsulfenyl chloride or phenylselenenyl chloride to a carbon-carbon double bond of C-5,6 region of uracils in the presence of silver reagents such as Ag2O, AgBF4, or AgOCOCF3 directly gave the corresponding 5-phenylsulfydryl- or 5-phenylselenenyl uracils in good yields.
• Hirota, Kosaku; Tomishi, Tetsuo; Maki, Yoshifumi, Nucleosides and Nucleotides, 1998, vol. 17, # 1-3, p. 161 - 173
  作者：Hirota, Kosaku、Tomishi, Tetsuo、Maki, Yoshifumi、Sajiki, Hironao

  DOI：——

  日期：——
• Roh, Kyoung Rok; Chang, Hye Kyung; Kim, Yong Hae, Heterocycles, 1998, vol. 48, # 3, p. 437 - 441
  作者：Roh, Kyoung Rok、Chang, Hye Kyung、Kim, Yong Hae

  DOI：——

  日期：——
• Electrophilic ipso-Substitution of 5-Bromouridines with Diaryl Disulfides. Novel Synthesis of 5-Arylthiouridines
  作者：Kosaku Hirota、Tetsuo Tomishi、Yoshifumi Maki

  DOI：10.3987/r-1987-12-3089

  日期：——