8-{(1S,2R)-2-[(1S,20S,21S)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}octanal | 1446326-37-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子
• 英文名称: 8-{(1S,2R)-2-[(1S,20S,21S)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}octanal
• 英文别名: 8-[(1S,2R)-2-[(2S,21S,22S)-21-[tert-butyl(dimethyl)silyl]oxy-22-methyltetracontan-2-yl]cyclopropyl]octanal
• CAS: 1446326-37-9
• 化学式: C₅₈H₁₁₆O₂Si
• 分子量: 873.643
• InChiKey: ZKNSBHSQITVGJX-LWDZLFQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.89
• 重原子数：
  61
• 可旋转键数：
  49
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

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}octanal 、 (R)-2-[(R)-1-acetoxy-9-(5-phenyl-1H-tetrazol-1-sulfonyl)nonyl]hexacosanoic acid methyl ester 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以44.444%的产率得到
  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：

  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