4-(4-propoxy-phenyl)-butan-2-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(4-propoxy-phenyl)-butan-2-one
• 英文别名: 4-(4-Propoxyphenyl)butan-2-one
• 化学式: C₁₃H₁₈O₂
• mdl: MFCD09931987
• 分子量: 206.285
• InChiKey: NLAJCYXYDKUDDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-propoxy-phenyl)-butan-2-one 在 盐酸 、 lithium perchlorate 、 sodium nitrite 作用下， 以 乙腈 为溶剂， 反应 5.5h， 以87%的产率得到3-acetyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one
  参考文献：
  名称：

  螺异恶唑啉的电氧化脱芳构化：在黄硫异恶唑啉 B 的全合成中的应用

  摘要：

  已通过 4-甲氧基苄基肟的阳极氧化脱芳构化开发了螺异恶唑啉分子的合成。根据循环伏安法研究，该反应被认为是通过肟自由基与芳烃的 5 - exo CO-O 键环化来进行的。此外，螺异恶唑啉可以通过肟化/脱芳构化级联直接由容易获得的羰基束缚酚醛树脂构建。以这种螺异恶唑化为关键步骤，黄硫异恶唑啉 B 的首次全合成分三步完成。

  DOI：

  10.1002/adsc.202101062
• 作为产物：
  描述：

  覆盆子酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 4-(4-propoxy-phenyl)-butan-2-one
  参考文献：
  名称：

  Rational design, synthesis and structure–activity relationships of 4-alkoxy- and 4-acyloxy-phenylethylenethiosemicarbazone analogues as novel tyrosinase inhibitors

  摘要：

  In continuing our program aimed to search for potent compounds as highly efficient tyrosinase inhibitors, here a series of novel 4-alkoxy- and 4-acyloxy-phenylethylenethiosemicarbazone analogues were designed, synthesized and their biological activities on mushroom tyrosinase were evaluated. Notably, most of compounds displayed remarkable tyrosinase inhibitory activities with IC50 value of lower than 1.0 mu M. Furthermore, the structure-activity relationships (SARs) were discussed and the inhibition mechanism and the inhibitory kinetics of selected compounds 7k and 8d were also investigated. Taken together, these results suggested that such compounds could serve as the promising candidates for the treatment of tyrosinase-related disorders and further development of such compounds might be of great interest. (C) 2015 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2015.01.024

文献信息

• [EN] MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS<br/>[FR] COMPOSÉS MACROCYCLIQUES POUR L'INHIBITION D'INHIBITEURS DE L'APOPTOSE
  申请人：ENSEMBLE THERAPEUTICS

  公开号：WO2013071035A1

  公开（公告）日：2013-05-16

  The invention relates generally to macrocyclic compounds and their therapeutic use. More particularly, the invention relates to macrocyclic compounds that modulate the activity of inhibitors of apoptosis (IAPs) and/or are useful in the treatment of medical conditions, such as cancer.

  这项发明通常涉及大环化合物及其治疗用途。更具体地，该发明涉及调节凋亡抑制蛋白（IAPs）活性的大环化合物和/或用于治疗癌症等医疗状况的化合物。
• [EN] 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS<br/>[FR] AGENTS ANTIFONGIQUES À BASE DE 2-AMINO-1,3,4-THIADIAZINE ET DE 2-AMINO-1,3,4-OXADIAZINE
  申请人：F2G LTD

  公开号：WO2017009651A1

  公开（公告）日：2017-01-19

  The invention provides a compound which is a diazine of formula (I) or a tautomer thereof, or a pharmaceutically acceptable salt thereof, for use as an antifungal agent: (I) wherein X, N', C', A and E are as defined herein. The invention also provides a compound of Formula (I) as defined herein.

  该发明提供了一种化合物，其为式(I)的二氮杂环化合物或其互变异构体，或其药学上可接受的盐，用作抗真菌剂：(I)其中X、N'、C'、A和E如本文所定义。该发明还提供了一种如本文所定义的式(I)的化合物。
• 2-acylaminopropanol-type glucosylceramide synthase inhibitors
  申请人：Genzyme Corporation

  公开号：EP2594563B1

  公开（公告）日：2018-07-18
• 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS
  申请人：CELON PHARMA S.A.

  公开号：EP3737470B1

  公开（公告）日：2022-12-14
• Rational design, synthesis and structure–activity relationships of 4-alkoxy- and 4-acyloxy-phenylethylenethiosemicarbazone analogues as novel tyrosinase inhibitors
  作者：Ao You、Jie Zhou、Senchuan Song、Guoxun Zhu、Huacan Song、Wei Yi

  DOI：10.1016/j.bmc.2015.01.024

  日期：2015.3

  In continuing our program aimed to search for potent compounds as highly efficient tyrosinase inhibitors, here a series of novel 4-alkoxy- and 4-acyloxy-phenylethylenethiosemicarbazone analogues were designed, synthesized and their biological activities on mushroom tyrosinase were evaluated. Notably, most of compounds displayed remarkable tyrosinase inhibitory activities with IC50 value of lower than 1.0 mu M. Furthermore, the structure-activity relationships (SARs) were discussed and the inhibition mechanism and the inhibitory kinetics of selected compounds 7k and 8d were also investigated. Taken together, these results suggested that such compounds could serve as the promising candidates for the treatment of tyrosinase-related disorders and further development of such compounds might be of great interest. (C) 2015 Published by Elsevier Ltd.