(+)-N6-triphenylphosphinimino-(4'α-iodo-2'α,3'α-O-isopropylidendioxycyclopent-1'β-yl)-9-H-adenine | 219635-80-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (+)-N6-triphenylphosphinimino-(4'α-iodo-2'α,3'α-O-isopropylidendioxycyclopent-1'β-yl)-9-H-adenine
• 英文别名: [9-[(3aS,4R,6R,6aS)-4-iodo-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]purin-6-yl]imino-triphenyl-lambda5-phosphane；[9-[(3aS,4R,6R,6aS)-4-iodo-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]purin-6-yl]imino-triphenyl-λ5-phosphane
• CAS: 219635-80-0
• 化学式: C₃₁H₂₉IN₅O₂P
• 分子量: 661.482
• InChiKey: BPJAPSZNKKCAAM-KECVVUEUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  40
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  74.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (+)-N6-triphenylphosphinimino-(4'α-iodo-2'α,3'α-O-isopropylidendioxycyclopent-1'β-yl)-9-H-adenine 在 copper(l) iodide 、 铜 、 锌 作用下， 以 水 、 乙酸乙酯 、 乙腈 为溶剂， 反应 15.0h， 生成 N6-triphenylphosphinimino-<2'α,3'α-O-isopropylidendioxy-4'-(5''S-benzyloxycarbonylamino)-2''(S)-carboxamido-5''-S-(methoxycarbonylpent-1''-yl)-cyclopent-1'-β-yl>-9-H-adenine
  参考文献：
  名称：

  A Synthetic Approach to Carbocyclic Sinefungin

  摘要：

  An approach to an asymmetric synthesis of carbocyclic sinefungin (cSF) 2 is proposed. The sequence, which uses an original radical based chemistry for C-C bond formation, led to the immediate precursor 18 of the protected desired compound. While the overall yield is modest, it is noticeable that only a limited number of steps are needed to obtain the target compound.

  DOI：

  10.1080/07328319808004308
• 作为产物：
  描述：

  (-)-β-(2'α,3'α-O-isopropylidenedioxy-4'β-trimethylacetoxycyclopent-1'-yl)-9-H-adenine 在 sodium hydroxide 、 tri-iodoimidazole 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 33.0h， 生成 (+)-N6-triphenylphosphinimino-(4'α-iodo-2'α,3'α-O-isopropylidendioxycyclopent-1'β-yl)-9-H-adenine
  参考文献：
  名称：

  A Synthetic Approach to Carbocyclic Sinefungin

  摘要：

  An approach to an asymmetric synthesis of carbocyclic sinefungin (cSF) 2 is proposed. The sequence, which uses an original radical based chemistry for C-C bond formation, led to the immediate precursor 18 of the protected desired compound. While the overall yield is modest, it is noticeable that only a limited number of steps are needed to obtain the target compound.

  DOI：

  10.1080/07328319808004308