[(2R,3R,5R,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R,3E,5E)-6-iodo-4,5-dimethylhexa-3,5-dien-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate | 158574-51-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [(2R,3R,5R,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R,3E,5E)-6-iodo-4,5-dimethylhexa-3,5-dien-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate
• CAS: 158574-51-7
• 化学式: C₇₅H₁₄₅IN₃O₁₅PSi₅
• 分子量: 1627.29
• InChiKey: CKNYZIAUANHOMZ-CJAHDDEZSA-N

物化性质

• 沸点：
  1107.1±65.0 °C(predicted)
• 密度：
  1.11±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  19.67
• 重原子数：
  100
• 可旋转键数：
  43
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  186
• 氢给体数：
  1
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  3-methyl-5-(tributylstannyl)-(2Z,4E)-pentadienenitrile 、 [(2R,3R,5R,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R,3E,5E)-6-iodo-4,5-dimethylhexa-3,5-dien-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以67%的产率得到[(2R,3R,5R,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-2-[(4S,5S,6R)-6-[(2R,3E,5E,7E,9Z)-10-cyano-4,5,9-trimethyldeca-3,5,7,9-tetraen-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate
  参考文献：
  名称：

  Tanimoto, Norihiko; Gerritz, Samuel W.; Sawabe, Akiyoshi, Angewandte Chemie, 1994, vol. 106, # 6, p. 674 - 677

  摘要：

  DOI：
• 作为产物：
  描述：

  [(2R,3R,5R,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate 在 Swern oxidation reagent 作用下， 生成 [(2R,3R,5R,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R,3E,5E)-6-iodo-4,5-dimethylhexa-3,5-dien-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate
  参考文献：
  名称：

  Tanimoto, Norihiko; Gerritz, Samuel W.; Sawabe, Akiyoshi, Angewandte Chemie, 1994, vol. 106, # 6, p. 674 - 677

  摘要：

  DOI：