tert-butyl((1-(3-(3,3-dibromoallyl)oxetan-3-yl)but-3-en-2-yl)oxy)dimethylsilane | 1616253-56-5

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: tert-butyl((1-(3-(3,3-dibromoallyl)oxetan-3-yl)but-3-en-2-yl)oxy)dimethylsilane
• CAS: 1616253-56-5
• 化学式: C₁₆H₂₈Br₂O₂Si
• 分子量: 440.291
• InChiKey: CAJCLCYLPQVFOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.99
• 重原子数：
  21.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  tert-butyl((1-(3-(3,3-dibromoallyl)oxetan-3-yl)but-3-en-2-yl)oxy)dimethylsilane 在 四(三苯基膦)钯 、 正丁基锂 、 三乙胺 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 反应 3.33h， 生成
  参考文献：
  名称：

  Concise synthesis and characterization of novel seco-steroids bearing a spiro-oxetane instead of a metabolically labile C3-hydroxy group

  摘要：

  Two novel stereoisomeric analogues of 1,25-dihydroxyvitamin D-3 bearing a spiro-oxetane at the C3 position of the A-ring have been designed and synthesized in a convergent manner. The absolute configuration at the Cl position of the synthesized compounds was determined by the circular dichroism exciton chirality method using the corresponding C1-allylic benzoates. The replacement of the C3-hydroxy group with a spiro-oxetane provided an advantageous conformational preference for the parent seco-steroids, which would facilitate the formation of a stable receptor complex. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.05.060
• 作为产物：
  描述：

  3-{2-[(4-methoxybenzyl)oxy]ethyl}oxetan-3-ylethanal 在 咪唑 、 草酰氯 、 二甲基亚砜 、 三苯基膦 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 7.0h， 生成 tert-butyl((1-(3-(3,3-dibromoallyl)oxetan-3-yl)but-3-en-2-yl)oxy)dimethylsilane
  参考文献：
  名称：

  Concise synthesis and characterization of novel seco-steroids bearing a spiro-oxetane instead of a metabolically labile C3-hydroxy group

  摘要：

  Two novel stereoisomeric analogues of 1,25-dihydroxyvitamin D-3 bearing a spiro-oxetane at the C3 position of the A-ring have been designed and synthesized in a convergent manner. The absolute configuration at the Cl position of the synthesized compounds was determined by the circular dichroism exciton chirality method using the corresponding C1-allylic benzoates. The replacement of the C3-hydroxy group with a spiro-oxetane provided an advantageous conformational preference for the parent seco-steroids, which would facilitate the formation of a stable receptor complex. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.05.060