3-Hydroxy-6-methyl-heptane-2,5-dione | 87074-58-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Hydroxy-6-methyl-heptane-2,5-dione
• 英文别名: 3-Hydroxy-6-methylheptane-2,5-dione；3-hydroxy-6-methylheptane-2,5-dione
• CAS: 87074-58-6
• 化学式: C₈H₁₄O₃
• 分子量: 158.197
• InChiKey: UYIKUTAYSHUHBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  3-Hydroxy-6-methyl-heptane-2,5-dione 在 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 生成 2-Methyl-5-propan-2-ylfuran-3-one
  参考文献：
  名称：

  在烯烃中添加腈氧化物。二氢茉莉酮和前列腺素类原料的合成。吡咯的新途径

  摘要：

  描述了二氢茉莉酮和γ-酮醛的途径以及我们前列腺素合成中关键中间体的替代方法。2-异恶唑啉是制备各种化合物的有用中间体。建立了吡咯的新途径。

  DOI：

  10.1016/s0040-4020(01)91944-1
• 作为产物：
  描述：

  1-(3-异丙基-4,5-二氢-1,2-恶唑-5-基)乙酮 在 四氢化物钛 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 72.0h， 以70%的产率得到3-Hydroxy-6-methyl-heptane-2,5-dione
  参考文献：
  名称：

  在烯烃中添加腈氧化物。二氢茉莉酮和前列腺素类原料的合成。吡咯的新途径

  摘要：

  描述了二氢茉莉酮和γ-酮醛的途径以及我们前列腺素合成中关键中间体的替代方法。2-异恶唑啉是制备各种化合物的有用中间体。建立了吡咯的新途径。

  DOI：

  10.1016/s0040-4020(01)91944-1

文献信息

• β‐Ketoesters as Mono‐ or Bisnucleophiles: A Concise Enantioselective Total Synthesis of (−)‐Englerin A and B
  作者：Lei Guo、Bernd Plietker

  DOI：10.1002/anie.201900401

  日期：2019.6.17

  A short enantioselective total synthesis of englerin A, a guaiane sesquiterpene with significant in vitro antitumor activity, is reported. Key features of this total synthesis are an organocatalytic asymmetric decarboxylative aldol reaction, a neighboring‐group‐participating [4+3] cycloaddition, a novel one‐pot Heck coupling/regioselective 1,4‐hydrosilylation/Tamao–Fleming oxidation cascade, and a

  据报道，一种短时的对映体全合成的englerin A是一种具有显着的体外抗肿瘤活性的愈创树倍半萜烯。该总合成的关键特征是有机催化不对称脱羧醛醇醛反应，邻基参与的[4 + 3]环加成反应，新颖的单锅Heck偶联/区域选择性1,4-氢化硅烷化/ Tamao-Fleming氧化级联反应以及降低CBS的动力学，从甲基乙二醛开始的十二个步骤中，生成的光学纯天然产物的总收率为6.7％。englerin A的更具反应性的乙醇酸酯部分的选择性皂化也产生（-）-englerinB。
• NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF
  申请人：Franklin Richard

  公开号：US20100286186A1

  公开（公告）日：2010-11-11

  The present invention concerns dicarboxylic acid linked amino acid and peptide prodrugs of opioid analgesics and pharmaceutical compositions containing such prodrugs. Methods for providing pain relief, decreasing the adverse GI side effects of the opioid analgesic and increasing the bioavailability of the opioid analgesic with the aforementioned prodrugs are also provided. In one embodiment, prodrugs having the amino acid side chains of valine, leucine, isoleucine and glycine; and mono-, di- and tripeptides thereof are provided.
• PRODRUGS OF GUANFACINE
  申请人：Franklin Richard

  公开号：US20120178666A1

  公开（公告）日：2012-07-12

  Prodrugs of guanfacine with amino acids or short peptides, pharmaceutical compositions containing such prodrugs and a method for providing therapeutic benefit in the treatment of ADHD/ODD (attention deficient hyperactivity disorder and oppositional defiance disorder) with guanfacine prodrugs are provided herein. Additionally, methods for minimizing or avoiding the adverse gastrointestinal side effects associated with guanfacine administration, as well as improving the pharmacokinetics of guanfacine are provided herein.
• METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE
  申请人：Thottathil John K.

  公开号：US20170151232A1

  公开（公告）日：2017-06-01

  Abuse-resistant opioid compounds, drug delivery systems, pharmaceutical compositions comprising an opioid covalently bound to a chemical moiety are provided. Methods of delivering an active ingredient to a subject and methods of preventing opioid abuse are also provided.