methyl (3S)-4-acetyloxy-3-methylbutanoate | 109621-99-0

• 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: methyl (3S)-4-acetyloxy-3-methylbutanoate
• CAS: 109621-99-0
• 化学式: C₈H₁₄O₄
• 分子量: 174.197
• InChiKey: NUJNPJKTQHCDPF-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.75
• 重原子数：
  12.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (E)-4-Acetoxy-3-methyl-but-2-enoic acid methyl ester 在 C₃₈H₅₃IrN₃O⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-) 、 氢气 作用下， 以 二氯甲烷 为溶剂， 25.0 ℃ 、5.0 MPa 条件下， 反应 16.0h， 以95%的产率得到
  参考文献：
  名称：

  恶唑啉-咪唑啉基、-咪唑基、-苯并咪唑基加氢催化剂的比较

  摘要：

  制备了咪唑啉基、咪唑基、苯并咪唑基配合物1a - c，并在一系列很大程度上未官能化的烯烃的不对称氢化中进行了测试。根据这些反应的预测机制以及它们在氢化条件下产生质子的相对趋势，这些配合物催化性能的异同被合理化。

  DOI：

  10.1021/jo4013783

文献信息

• Metathesis for catalyst design: metacatalysis
  作者：Sakunchai Khumsubdee、Kevin Burgess

  DOI：10.1016/j.tet.2013.12.040

  日期：2014.2

  Prior studies have shown an effective way to produce diverse ligand sets for catalyst discovery is by using mixtures of monodentate forms to generate catalysts in situ. Research described here was performed to illustrate that alkene-functionalized monodentate ligands could be used in this way and in another that increases the diversity of the ligand library in an interesting way. Specifically, we hypothesized that as well as being used as monomers, these alkenes could be cross metathesized in situ immediately before the catalysis step. This combination of metathesis to form ligands in situ, then catalysis is referred to here as metacatalysis. In the event, a library of quinidine and quinine alkaloid-derived phosphites were tested as mixtures of monomers and dimers formed via metathesis in situ. The data obtained illustrated that metacatalysis can be used to identify ligands that positively and negatively modulate enantioselectivities in iridium-mediated hydrogenations of a,alpha,beta-unsaturated carboxylic acid derivatives, relative to the mixtures of the monomeric forms used. (C) 2014 Elsevier Ltd. All rights reserved.
• KOGA, KEHNDZI;TOMIOKA, KIESI;YASUDA, KOSUKEH;TAKIGAVA, TEHTSUO
  作者：KOGA, KEHNDZI、TOMIOKA, KIESI、YASUDA, KOSUKEH、TAKIGAVA, TEHTSUO

  DOI：——

  日期：——