tert-butyl (4S,6S,7S)-8-[tert-butyl(dimethyl)silyl]oxy-8-cyano-7-hydroxy-10-phenylmethoxy-5-trityl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),10,12-triene-12-carboxylate | 1246012-85-0

• 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: tert-butyl (4S,6S,7S)-8-[tert-butyl(dimethyl)silyl]oxy-8-cyano-7-hydroxy-10-phenylmethoxy-5-trityl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),10,12-triene-12-carboxylate
• CAS: 1246012-85-0
• 化学式: C₄₉H₅₃N₃O₅Si
• 分子量: 792.062
• InChiKey: VQBZSTVNIQOBHA-VRPLDCDDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.53
• 重原子数：
  58
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  95
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tert-butyl (4S,6S,7S)-8-[tert-butyl(dimethyl)silyl]oxy-8-cyano-7-hydroxy-10-phenylmethoxy-5-trityl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),10,12-triene-12-carboxylate 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以77%的产率得到tert-butyl (4S,6S,7S)-7-hydroxy-8-oxo-10-phenylmethoxy-5-trityl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),10,12-triene-12-carboxylate
  参考文献：
  名称：

  Aziridinomitosanes via Lactam Cyclization

  摘要：

  Aziridinomitosane ketones 4 and 24 are accessed by internal acyl anion equivalent-lactam cyclization of 29 in a convergent route. The key aziridinolactam 6 is prepared by tin lithium exchange via the lithiated aziridine 11.

  DOI：

  10.1021/ol101595u
• 作为产物：
  描述：

  tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]-3-[(1S,5S)-2-oxo-6-trityl-3,6-diazabicyclo[3.1.0]hexan-3-yl]-5-phenylmethoxybenzoate 在 lithium hexamethyldisilazane 作用下， 以 乙醚 为溶剂， 以58%的产率得到tert-butyl (4S,6S,7S)-8-[tert-butyl(dimethyl)silyl]oxy-8-cyano-7-hydroxy-10-phenylmethoxy-5-trityl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),10,12-triene-12-carboxylate
  参考文献：
  名称：

  Aziridinomitosanes via Lactam Cyclization

  摘要：

  Aziridinomitosane ketones 4 and 24 are accessed by internal acyl anion equivalent-lactam cyclization of 29 in a convergent route. The key aziridinolactam 6 is prepared by tin lithium exchange via the lithiated aziridine 11.

  DOI：

  10.1021/ol101595u

文献信息

• Aziridinomitosanes via Lactam Cyclization
  作者：Susan D. Wiedner、Edwin Vedejs

  DOI：10.1021/ol101595u

  日期：2010.9.17

  Aziridinomitosane ketones 4 and 24 are accessed by internal acyl anion equivalent-lactam cyclization of 29 in a convergent route. The key aziridinolactam 6 is prepared by tin lithium exchange via the lithiated aziridine 11.