1α,3β-bis(tert-butyldimethylsilyloxy)-2β-(3-tert-butyldimethylsilyloxy-propoxy)-25-hydroxy-<26,27-3H6>cholesta-5,7-diene | 242130-65-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 1α,3β-bis(tert-butyldimethylsilyloxy)-2β-(3-tert-butyldimethylsilyloxy-propoxy)-25-hydroxy-<26,27-3H6>cholesta-5,7-diene
• 英文别名: (6R)-6-[(1R,2R,3R,9S,10R,13R,14R,17R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,1,1-tritritio-2-(tritritiomethyl)heptan-2-ol
• CAS: 242130-65-0
• 化学式: C₄₈H₉₂O₅Si₃
• 分子量: 845.464
• InChiKey: AEVYUIQOTMBYPX-MKXJJSEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.86
• 重原子数：
  56
• 可旋转键数：
  18
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1α,3β-bis(tert-butyldimethylsilyloxy)-2β-(3-tert-butyldimethylsilyloxy-propoxy)-25-hydroxy-<26,27-3H6>cholesta-5,7-diene 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 以69%的产率得到2β-(3-hydroxypropoxy)-1α,3α,25-trihydroxy-<26,27-3H6>cholesta-5,7-diene
  参考文献：
  名称：

  Synthesis of tritiated 1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3 (ED-71)1

  摘要：

  The synthesis of tritiated 1 alpha,25-dihydroxy-2 beta-(3-hydroxypropoxy)vitamin D-3 (ED-71), [2 beta(3-H-3)]ED-71 ((3) under bar) and [26,27-H-3(6)]ED-71 ((4) under bar) is described. The former was prepared by reduction of a precausor containing a formyl group in the A-ring part with sodium borotritiide while the latter was labeled in the side chain using tritiated methylmagnesium iodide. The specific activity of (3) under bar was 13.2Ci/mmol and that of (4) under bar 138.0Ci/mmol.

  DOI：

  10.1002/(sici)1099-1344(199906)42:6<519::aid-jlcr213>3.0.co;2-d
• 作为产物：
  描述：

  甲基碘化物 [3H] 、 1α,3β-dihydroxy-2β-(3-hydroxypropoxy)-20(R)-(3-methoxycarbonylpropyl)pregna-5,7-diene 在 碘 、 magnesium 作用下， 生成 1α,3β-bis(tert-butyldimethylsilyloxy)-2β-(3-tert-butyldimethylsilyloxy-propoxy)-25-hydroxy-<26,27-3H6>cholesta-5,7-diene
  参考文献：
  名称：

  Synthesis of tritiated 1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3 (ED-71)1

  摘要：

  The synthesis of tritiated 1 alpha,25-dihydroxy-2 beta-(3-hydroxypropoxy)vitamin D-3 (ED-71), [2 beta(3-H-3)]ED-71 ((3) under bar) and [26,27-H-3(6)]ED-71 ((4) under bar) is described. The former was prepared by reduction of a precausor containing a formyl group in the A-ring part with sodium borotritiide while the latter was labeled in the side chain using tritiated methylmagnesium iodide. The specific activity of (3) under bar was 13.2Ci/mmol and that of (4) under bar 138.0Ci/mmol.

  DOI：

  10.1002/(sici)1099-1344(199906)42:6<519::aid-jlcr213>3.0.co;2-d