(S)-methyl 4-methyl-3-(2-oxoethyl)pentanoate | 733000-91-4

• 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: (S)-methyl 4-methyl-3-(2-oxoethyl)pentanoate
• 英文别名: methyl (3S)-4-methyl-3-(2-oxoethyl)pentanoate
• CAS: 733000-91-4
• 化学式: C₉H₁₆O₃
• 分子量: 172.224
• InChiKey: AHJIZAUGWISERN-QMMMGPOBSA-N

物化性质

• 沸点：
  234.7±23.0 °C(Predicted)
• 密度：
  0.964±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-methyl 4-methyl-3-(2-oxoethyl)pentanoate 在 platinum(IV) oxide 氢气 、 二甲基氯化铝 作用下， 以 乙醇 、 正己烷 、 二氯甲烷 为溶剂， 生成 (4S,6S)-6-{(S)-1-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-(tert-Butyl-diphenyl-silanyloxy)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-ethyl}-4-isopropyl-tetrahydro-pyran-2-one
  参考文献：
  名称：

  Studies towards the total synthesis of contignasterol

  摘要：

  The (17R,20S,22S,24S) C-20-C-29 segment of contignasterol has been stereoselectively prepared in 8 steps and 40% overall yield from (S)-carvone. Synthetic studies towards contignasterol's C/D ring functionalization/isomerization are also reported. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.04.083
• 作为产物：
  描述：

  (3S)-3-isopropyl-5-oxopentanoic acid 在 双(乙腈)氯化钯(II) 、 水 、 对甲苯磺酸 作用下， 以 丙酮 为溶剂， 生成 (S)-methyl 4-methyl-3-(2-oxoethyl)pentanoate
  参考文献：
  名称：

  Studies towards the total synthesis of contignasterol

  摘要：

  The (17R,20S,22S,24S) C-20-C-29 segment of contignasterol has been stereoselectively prepared in 8 steps and 40% overall yield from (S)-carvone. Synthetic studies towards contignasterol's C/D ring functionalization/isomerization are also reported. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.04.083

文献信息

• Synthesis of potentially anti-inflammatory IPL576,092-contignasterol and IPL576,092-manoalide hybrids
  作者：Irene Izzo、Elvira Avallone、Carmela Della Monica、Agostino Casapullo、Maria Amigo、Francesco De Riccardis

  DOI：10.1016/j.tet.2004.04.084

  日期：2004.6

  The synthesis of two potentially anti-inflammatory steroidal hybrid compounds has been accomplished through a 16- and 17-step sequence, respectively, starting from commercially available androst-5-en-3beta-ol-17-one. The synthetic strategies are based both on stereoselective side chains elaboration and high yielding functional group transformations. (C) 2004 Elsevier Ltd. All rights reserved.