(S)-2-Methyl-5-oxo-hexanoic acid | 54248-02-1

• 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: (S)-2-Methyl-5-oxo-hexanoic acid
• 英文别名: (2S)-2-methyl-5-oxohexanoic acid
• CAS: 54248-02-1
• 化学式: C₇H₁₂O₃
• 分子量: 144.17
• InChiKey: RJKCQJNOJDMYEM-YFKPBYRVSA-N

物化性质

• 沸点：
  90.2 °C(Press: 0.08 Torr)
• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-2-Methyl-5-oxo-hexanoic acid 在 镍 三氟化硼乙醚 、 氢气 作用下， 生成 (S)-2-methylhexanoic acid methyl eester
  参考文献：
  名称：

  Efficient access to virtually enantiopure α-dialkyl-, α-acetoxy-, and α-acetamido esters

  摘要：

  Addition of acyclic chiral beta-enamino ester (S)-1 to alpha-methyl-, alpha-acetoxy-, and alpha-acetamido acrylates 2 gave with good yields, and with de greater than or equal to 95 % the corresponding Michael adducts (S, S)-3. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10339-2
• 作为产物：
  描述：

  (S)-2-Acetyl-4-methyl-pentanedioic acid dimethyl ester 在 lithium hydroxide 、 氢气 作用下， 生成 (S)-2-Methyl-5-oxo-hexanoic acid
  参考文献：
  名称：

  Efficient access to virtually enantiopure α-dialkyl-, α-acetoxy-, and α-acetamido esters

  摘要：

  Addition of acyclic chiral beta-enamino ester (S)-1 to alpha-methyl-, alpha-acetoxy-, and alpha-acetamido acrylates 2 gave with good yields, and with de greater than or equal to 95 % the corresponding Michael adducts (S, S)-3. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10339-2

文献信息

• Glutamate aggrecanase inhibitors
  申请人：Sum Phaik-Eng

  公开号：US20070043066A1

  公开（公告）日：2007-02-22

  The present invention relates to modulators of metalloproteinase activity.

  本发明涉及金属蛋白酶活性调节剂。
• Methods for preparing glutamic acid derivatives
  申请人：Michalak S. Ronald

  公开号：US20070088172A1

  公开（公告）日：2007-04-19

  The present invention relates to novel methods for the preparation of glutamic acid derivatives and intermediates thereof, and such compounds prepared by the novel methods.

  本发明涉及一种制备谷氨酸衍生物及其中间体的新方法，以及通过这种新方法制备的化合物。
• Enantioselective Organocatalytic Michael Additions of Aldehydes to Enones with Imidazolidinones:  Cocatalyst Effects and Evidence for an Enamine Intermediate
  作者：Timothy J. Peelen、Yonggui Chi、Samuel H. Gellman

  DOI：10.1021/ja0532584

  日期：2005.8.24

  An enantioselective intermolecular Michael addition of aldehydes to enones catalyzed by imidazolidinones has been achieved. Chemoselectivity (Michael addition vs aldol) can be controlled through judicious choice of hydrogen-bond-donating cocatalysts. The optimal imidazolidinone/hydrogen-bond-donor pair affords Michael addition products in excess of 90% ee. Furthermore, we have isolated and characterized

  已经实现了醛与由咪唑烷酮催化的烯酮的对映选择性分子间迈克尔加成。化学选择性（迈克尔加成与羟醛）可以通过明智地选择供氢键的助催化剂来控制。最佳咪唑烷酮/氢键供体对提供超过 90% ee 的迈克尔加成产物。此外，我们已经分离并表征了烯胺中间体，并证明了其在观察到的迈克尔加成反应中作为亲核试剂的功效。
• PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO
  申请人：Incyte Corporation

  公开号：US20150344497A1

  公开（公告）日：2015-12-03

  This invention relates to processes for preparing a JAK1 inhibitor having Formula Ia: as well as new forms of the inhibitor.

  这项发明涉及制备具有Ia式的JAK1抑制剂的过程，以及该抑制剂的新形式。
• Methods for preparing glutamic acid derivatives and intermediates thereof
  申请人：Doyle Timothy

  公开号：US20080119670A1

  公开（公告）日：2008-05-22

  The present invention relates to novel methods for the preparation of glutamic acid derivatives and intermediates thereof, and such compounds prepared by the novel methods.