O-((9H-fluoren-9-yl)methyl) O-((2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl) phosphorochloridoselenoate | 908128-54-1

• 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: O-((9H-fluoren-9-yl)methyl) O-((2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl) phosphorochloridoselenoate
• CAS: 908128-54-1
• 化学式: C₄₅H₄₂ClN₂O₈PSe
• 分子量: 884.224
• InChiKey: JJLULJZANFVBPR-RHAUBNDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.46
• 重原子数：
  58.0
• 可旋转键数：
  14.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  110.24
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  O-((9H-fluoren-9-yl)methyl) O-((2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl) phosphorochloridoselenoate 在 triethylammonium trishydrofluoride 作用下， 以 水 、 乙腈 为溶剂， 反应 0.08h， 生成 O-((9H-fluoren-9-yl)methyl) O-((2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl) phosphorofluoridoselenoate
  参考文献：
  名称：

  OXIDATIVE TRANSFORMATIONS OF NUCLEOSIDE FLUORENEMETHYL H-PHOSPHONOSELENOATE DIESTERS

  摘要：

  9-Fluorenemethyl H-phosphonoselenoate monoester has been used to produce thymidine 3'-O-phosphoroselenoate monoester from which various P(V) derivatives containing multiple modifications at phosphorus were obtained; e.g., thymidine 3'-O-phosphoroselenofluoridate, 3'-O-phosphoroselenothioate, or 3'-O-phosphorodiselenoate monoesters.

  DOI：

  10.1081/ncn-200060173
• 作为产物：
  描述：

  [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(9H-fluoren-9-ylmethoxy)-selenidophosphanium 在 吡啶 、 四氯化碳 作用下， 以 水 、 乙腈 为溶剂， 反应 0.25h， 生成 O-((9H-fluoren-9-yl)methyl) O-((2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl) phosphorochloridoselenoate
  参考文献：
  名称：

  OXIDATIVE TRANSFORMATIONS OF NUCLEOSIDE FLUORENEMETHYL H-PHOSPHONOSELENOATE DIESTERS

  摘要：

  9-Fluorenemethyl H-phosphonoselenoate monoester has been used to produce thymidine 3'-O-phosphoroselenoate monoester from which various P(V) derivatives containing multiple modifications at phosphorus were obtained; e.g., thymidine 3'-O-phosphoroselenofluoridate, 3'-O-phosphoroselenothioate, or 3'-O-phosphorodiselenoate monoesters.

  DOI：

  10.1081/ncn-200060173