Pentanoic acid, 5-hydroxy-2,2,4-trimethyl-, ethyl ester, (R)- | 159751-63-0

• 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: Pentanoic acid, 5-hydroxy-2,2,4-trimethyl-, ethyl ester, (R)-
• 英文别名: ethyl (4R)-5-hydroxy-2,2,4-trimethylpentanoate
• CAS: 159751-63-0
• 化学式: C₁₀H₂₀O₃
• 分子量: 188.267
• InChiKey: WXEBXJSLYUQUTQ-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.59
• 重原子数：
  13.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Pentanoic acid, 5-hydroxy-2,2,4-trimethyl-, ethyl ester, (R)- 在 草酰氯 、 三氟化硼乙醚 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 ethyl (4R)-4-(1,3-dithian-2-yl)-2,2-dimethylpentanoate
  参考文献：
  名称：

  Synthetic study on oscillatoxin D: Construction of the C1–C26 spiroether segment by intramolecular aldol condensation and Michael-type addition

  摘要：

  The C-1-C-7 segment (10) and the C-8-C-21 segment (14) of oscillatoxin D have been synthesized efficiently. The acyclic compound obtained by coupling of these two segments, has been converted int the C-1-C-26 spiroether (18) possessing the same stereogenic centers of oscillatoxin D. The construction of the spiroether has been achieved by intramolecular aldol condensation and Michael-type addition as key steps.

  DOI：

  10.1016/s0040-4039(00)73355-7
• 作为产物：
  描述：

  异丁酸乙酯 在 钯 氢气 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 Pentanoic acid, 5-hydroxy-2,2,4-trimethyl-, ethyl ester, (R)-
  参考文献：
  名称：

  Synthetic study on oscillatoxin D: Construction of the C1–C26 spiroether segment by intramolecular aldol condensation and Michael-type addition

  摘要：

  The C-1-C-7 segment (10) and the C-8-C-21 segment (14) of oscillatoxin D have been synthesized efficiently. The acyclic compound obtained by coupling of these two segments, has been converted int the C-1-C-26 spiroether (18) possessing the same stereogenic centers of oscillatoxin D. The construction of the spiroether has been achieved by intramolecular aldol condensation and Michael-type addition as key steps.

  DOI：

  10.1016/s0040-4039(00)73355-7

文献信息

• Synthetic study on oscillatoxin D: Construction of the C1–C26 spiroether segment by intramolecular aldol condensation and Michael-type addition
  作者：Hiroaki Toshima、Takashi Goto、Akitami Ichihara

  DOI：10.1016/s0040-4039(00)73355-7

  日期：1994.6

  The C-1-C-7 segment (10) and the C-8-C-21 segment (14) of oscillatoxin D have been synthesized efficiently. The acyclic compound obtained by coupling of these two segments, has been converted int the C-1-C-26 spiroether (18) possessing the same stereogenic centers of oscillatoxin D. The construction of the spiroether has been achieved by intramolecular aldol condensation and Michael-type addition as key steps.