1-(4-羟基-3-甲氧基苯基)-4,4-二甲基-1-戊烯-3-酮 | 58344-27-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: 1-(4-羟基-3-甲氧基苯基)-4,4-二甲基-1-戊烯-3-酮
• 英文名称: (1E)-1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
• 英文别名: 1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one；(E)-1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
• CAS: 58344-27-7
• 化学式: C₁₄H₁₈O₃
• 分子量: 234.295
• InChiKey: HQCPXGCKNBVMPN-SOFGYWHQSA-N

物化性质

• 熔点：
  104-106°C
• 沸点：
  372.5±27.0 °C(Predicted)
• 密度：
  1.084±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿、二氯甲烷、乙醚、乙酸乙酯、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-羟基-3-甲氧基苯基)-4,4-二甲基-1-戊烯-3-酮 在 nickel boride 、 氢气 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以91%的产率得到1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
  参考文献：
  名称：

  Selective hydrogenation of conjugated unsaturated ketones containing a hydroxyaryl substituent in the β-position

  摘要：

  A high selectivity was achieved in the Ni2B-catalyzed hydrogenation of alpha,beta-unsaturated ketones containing a hydroxyaryl (phenolic) substituent in the beta-position. The developed hydrogenation procedure was used to synthesize natural compounds of the phenylpropane series and their structural analogs.

  DOI：

  10.1134/s1070428017010055
• 作为产物：
  描述：

  3-甲氧基-4-[(四氢-2H-吡喃-2-基)氧基]苯甲醛 在 甲醇 、 sodium methylate 、 4-甲基苯磺酸吡啶 作用下， 以 甲醇 为溶剂， 反应 23.0h， 生成 1-(4-羟基-3-甲氧基苯基)-4,4-二甲基-1-戊烯-3-酮
  参考文献：
  名称：

  Selective hydrogenation of conjugated unsaturated ketones containing a hydroxyaryl substituent in the β-position

  摘要：

  A high selectivity was achieved in the Ni2B-catalyzed hydrogenation of alpha,beta-unsaturated ketones containing a hydroxyaryl (phenolic) substituent in the beta-position. The developed hydrogenation procedure was used to synthesize natural compounds of the phenylpropane series and their structural analogs.

  DOI：

  10.1134/s1070428017010055

文献信息

• CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID
  申请人：Yu Chung-Shan

  公开号：US20110306668A1

  公开（公告）日：2011-12-15

  A process for synthesizing and screening solution phase derived libraries of fenbufen and ethacrynic acid is provided in the present invention. Compounds in the present invention having cytotoxicities are useful for a variety of therapeutic applications.

  本发明提供了一种合成和筛选溶液相衍生的芬布芬和依他克酸库的过程。本发明中具有细胞毒性的化合物对多种治疗应用是有用的。
• Menaquinol compositions and methods of treatment
  申请人：Epizon Pharma, Inc.

  公开号：US10822295B2

  公开（公告）日：2020-11-03

  The present application discloses methods for the efficient preparation of high purity compounds of the Formula I, and their methods of use. Also disclosed herein are pharmaceutical compositions comprising a therapeutically effective amount of a menaquinol compound as disclosed above, or a mixture thereof, and a pharmaceutically acceptable excipient, wherein the composition is effective for the treatment of a condition associated with vitamin K selected from for the treatment of osteoporosis and arteriosclerosis.

  本申请公开了高效制备高纯度式 I 化合物的方法及其使用方法。 本文还公开了药物组合物，该组合物包含治疗有效量的如上所述的孟喹醇化合物或其混合物，以及药学上可接受的赋形剂，其中该组合物对治疗与维生素 K 有关的病症有效，这些病症选自骨质疏松症和动脉硬化。
• Menaquinol Compositions and Methods of Treatment
  申请人：Epizon Pharma, Inc.

  公开号：US20210009494A1

  公开（公告）日：2021-01-14

  The present application discloses methods for the efficient preparation of high purity compounds of the Formula I, and their methods of use.
• US8093427B2
  申请人：——

  公开号：US8093427B2

  公开（公告）日：2012-01-10
• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF EPILEPSY AND NEUROLOGIC DISEASES<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT DE L'ÉPILEPSIE ET DE MALADIES NEUROLOGIQUES
  申请人：KANDULA MAHESH

  公开号：WO2014087331A2

  公开（公告）日：2014-06-12

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of epilepsy and neurologic diseases may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of epilepsy, severe myoclonic epilepsy, Dravet's syndrome and severe myoclonic epilepsy in infants.