2-[1-[(3aR,4R,6R,6aR)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidin-5-yl]acetonitrile | 173977-78-1

• 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: 2-[1-[(3aR,4R,6R,6aR)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidin-5-yl]acetonitrile
• CAS: 173977-78-1
• 化学式: C₃₄H₃₃N₃O₇
• 分子量: 595.652
• InChiKey: VCSRVXSXVMBTBH-BUVRPPHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  44
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-[1-[(3aR,4R,6R,6aR)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidin-5-yl]acetonitrile 在 sodium hydroxide 、 dimethyl sulfide borane 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 36.0h， 生成 5-(2-Hydroxy-ethyl)-1-{(3aR,4R,6R,6aR)-6-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl}-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Chemical Synthesis and Conformational Properties of a New Cyclouridylic Acid Having an Ethylene Bridge between the Uracil 5-Position and 5‘-Phosphate Group

  摘要：

  DOI：

  10.1021/jo951756x
• 作为产物：
  描述：

  4-甲氧基三苯基氯甲烷 、 [1-(O²,O³-isopropylidene-β-D-ribofuranosyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-acetonitrile 在 吡啶 作用下， 反应 15.0h， 以77%的产率得到2-[1-[(3aR,4R,6R,6aR)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidin-5-yl]acetonitrile
  参考文献：
  名称：

  Chemical Synthesis and Conformational Properties of a New Cyclouridylic Acid Having an Ethylene Bridge between the Uracil 5-Position and 5‘-Phosphate Group

  摘要：

  DOI：

  10.1021/jo951756x

文献信息

• Synthesis and Properties of Conformationally Rigid Cyclouridylic Acids Having Covalent Bonding Linkers Between the Uracil 5-Position and the 5′-Phosphate Group
  作者：Kohji Seio、Osamu Kurasawa、Takeshi Wada、Kensaku Sakamoto、Shigeyuki Yokoyama、M. Sekinea

  DOI：10.1080/07328319708006125

  日期：1997.7

  Conformationally rigid cyclouridylic acid derivatives 2 and 3 having ethylene and propylene bridges, respectively, between the uracil 5-position and the 5'-phosphate group were synthesized. These intramolecularly cyclized compounds have predominantly the ribose pucker of C3'-endo and the g+ orientation around the C4'-C5' bond.
• Chemical Synthesis and Conformational Properties of a New Cyclouridylic Acid Having an Ethylene Bridge between the Uracil 5-Position and 5‘-Phosphate Group
  作者：Kohji Seio、Takeshi Wada、Kensaku Sakamoto、Shigeyuki Yokoyama、Mitsuo Sekine

  DOI：10.1021/jo951756x

  日期：1996.1.1