8-{(1S,2R)-2-[(1S,20S,21S)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}octan-1-ol | 1446326-36-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: 8-{(1S,2R)-2-[(1S,20S,21S)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}octan-1-ol
• CAS: 1446326-36-8
• 化学式: C₅₈H₁₁₈O₂Si
• 分子量: 875.659
• InChiKey: CRVIVESCXKPGDG-LWDZLFQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.68
• 重原子数：
  61.0
• 可旋转键数：
  48.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  8-{(1S,2R)-2-[(1S,20S,21S)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}octan-1-ol 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以86%的产率得到8-{(1S,2R)-2-[(1S,20S,21S)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}octanal
  参考文献：
  名称：

  The synthesis of methoxy and keto mycolic acids containing methyl-trans-cyclopropanes

  摘要：

  The syntheses of a number of methoxy and keto-mycolic acids containing an alpha-methyl-trans-cyclopropane unit and with chain lengths identical to those reported in major homologues in natural samples are reported. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.134
• 作为产物：
  描述：

  2,2-dimethylpropionic acid 8-{(1S,2R)-2-[(1S,20S,21S)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}octyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.25h， 以82%的产率得到8-{(1S,2R)-2-[(1S,20S,21S)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}octan-1-ol
  参考文献：
  名称：

  The synthesis of methoxy and keto mycolic acids containing methyl-trans-cyclopropanes

  摘要：

  The syntheses of a number of methoxy and keto-mycolic acids containing an alpha-methyl-trans-cyclopropane unit and with chain lengths identical to those reported in major homologues in natural samples are reported. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.134