(R)-2-((R)-1-acetoxy-17-{(1S,2R)-2-[(1S,20R,21R)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}heptadecyl)hexacosanoic acid methyl ester | 934809-49-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (R)-2-((R)-1-acetoxy-17-{(1S,2R)-2-[(1S,20R,21R)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}heptadecyl)hexacosanoic acid methyl ester
• CAS: 934809-49-1
• 化学式: C₉₆H₁₉₀O₅Si
• 分子量: 1452.65
• InChiKey: PHYUDRVPVUAQLZ-UGBNVSMZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  33.91
• 重原子数：
  102.0
• 可旋转键数：
  83.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  61.83
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (R)-2-((R)-1-acetoxy-17-{(1S,2R)-2-[(1S,20R,21R)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}heptadecyl)hexacosanoic acid methyl ester 在 吡啶 、 pyridine hydrofluoride 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 以92%的产率得到(R)-2-{(R)-1-acetoxy-17-[(1S,2R)-2-((1S,20R,21R)-20-hydroxy-1,21-dimethylnonatriacontyl)cyclopropyl]heptadecyl}hexacosanoic acid methyl ester
  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：

  (R)-2-((E/Z)-(R)-1-acetoxy-17-{(1S,2R)-2-[(1S,20R,21R)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}heptadec-6-enyl)hexacosanoic acid methyl ester 在 potassium diazodicarboxylate 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以91%的产率得到(R)-2-((R)-1-acetoxy-17-{(1S,2R)-2-[(1S,20R,21R)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}heptadecyl)hexacosanoic acid methyl ester
  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