2-methoxy-1,3-diphenylpropan-1-one | 73968-12-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-methoxy-1,3-diphenylpropan-1-one
• 英文别名: 2-Methoxy-3-phenylpropiophenone
• CAS: 73968-12-4
• 化学式: C₁₆H₁₆O₂
• 分子量: 240.302
• InChiKey: XAOJKJIIESHGMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  α-methoxychalcone 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 2-methoxy-1,3-diphenylpropan-1-one
  参考文献：
  名称：

  Photolyse de cetones conjuguees heterosubstituees lineaires

  摘要：

  DOI：

  10.1016/0040-4020(79)88013-8

文献信息

• METHODS OF DESIGNING, PREPARING, AND USING NOVEL PROTONOPHORES
  申请人：Martineau Louis C.

  公开号：US20140135359A1

  公开（公告）日：2014-05-15

  The present invention provides a computer-assisted method of generating a protonophore requiring the use of a computer including a processor. The method includes: designing the protonophore, calculating, using the processor, an estimated protonophoric activity; producing the protonophore if the estimated protonophoric activity corresponds to an U 50 of about 20 μM or less; and determining the uncoupling activity of the protonophore. The present invention also provides novel protonophores that meet the above requirement and their methods of use.

  本发明提供了一种利用计算机辅助的方法来生成需要使用处理器的质子载体。该方法包括：设计质子载体，使用处理器计算估计的质子载体活性；如果估计的质子载体活性对应于大约20微米或更少的U50，则生产质子载体；并确定质子载体的解耦活性。本发明还提供了符合上述要求的新型质子载体及其使用方法。
• Pyridine derivatives
  申请人：Bayer Aktiengesellschaft

  公开号：US06562811B1

  公开（公告）日：2003-05-13

  Pyridine compounds of general formula: wherein —R1 represents in which R11 is hydrogen, C1-6 alkyl, halogen, hydroxy, C1-12 alkoxy, nitro, amino, C1-6 alkylsulfonylamino, C1-6 alkoxycarbonyl, C1-6 alkylamino, di(C1-6 alkyl)amino, C1-6 alkanoylamino, phenyl C1-6 alkylamino, phenylsulfonylamino, or —O—(CH2)n—R111; R2 represents hydrogen or halogen; R3 represents hydrogen, —CR31R32R33, or —NR34R35; R4 is hydrogen, carbamoyl, CN, carboxyl, etc.; R5 is amino, C1-6 alkylamino, di C1-6 alkylamino, etc. or salt thereof. The compound has an excellent anti-inflammatory activity, and other biological activity.

  通式为的吡啶化合物：其中-R1代表其中R11为氢，C1-6烷基，卤素，羟基，C1-12烷氧基，硝基，氨基，C1-6烷基磺酰胺基，C1-6烷氧羰基，C1-6烷基氨基，二(C1-6烷基)氨基，C1-6烷酰胺基，苯基C1-6烷基氨基，苯基磺酰胺基，或-O-(CH2)n-R111；R2代表氢或卤素；R3代表氢，-CR31R32R33，或-NR34R35；R4为氢，氨基甲酰基，氰基，羧基等；R5为氨基，C1-6烷基氨基，二C1-6烷基氨基等或其盐。该化合物具有出色的抗炎活性和其他生物活性。
• [EN] PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK- beta ) INHIBITING ACTIVITY<br/>[FR] DERIVES DE PYRIDINE AVEC ACTIVITE INHIBITRICE DE L'IKB-KINASE (IKK-KINASE9
  申请人：BAYER AG

  公开号：WO2002024679A1

  公开（公告）日：2002-03-28

  Pyridine compounds of general formula (I) wherein -R1 represents, or in which R11 is hydrogen, C¿1-6? alkyl, halogen, hydroxy, C1-12 alkoxy, nitro, amino, C1-6 alkylsulfonylamino, C1-6 alkoxycarbonyl, C1-6 alkylamino, di (C1-6 alkyl)amino, C1-6 alkanoylamino, phenyl C1-6 alkylamino, phenylsulfonylamino, or -O-(CH2)n-R?111 ; R2¿ represents hydrogen or halogen; R3 represents hydrogen, -CR?31R32R33¿, or -NR?34R35; R4¿ is hydrogen, carbamoyl, CN, carboxyl, etc.; R5 is amino, C¿1-6? alkylamino, di C1-6 alkylamino, etc. or salt thereof. The compound has an excellent anti-inflammatory activity, and other biological activity.

  通式为（I）的吡啶化合物，其中-R1代表，或其中R11为氢，C1-6烷基，卤素，羟基，C1-12烷氧基，硝基，氨基，C1-6烷基磺酰胺基，C1-6烷氧羰基，C1-6烷基氨基，二（C1-6烷基）氨基，C1-6烷酰胺基，苯基C1-6烷基氨基，苯基磺酰胺基，或-O-（CH2）n-R?111; R2代表氢或卤素; R3代表氢，-CR?31R32R33¿，或-NR?34R35; R4为氢，氨甲酰基，氰基，羧基等; R5为氨基，C1-6烷基氨基，二C1-6烷基氨基等或其盐。该化合物具有优异的抗炎活性和其他生物活性。
• USE OF 4-HYDROXYDIHYDROCHALCONES AND THEIR SALTS FOR ENHANCING AN IMPRESSION OF SWEETNESS
  申请人：Krammer Gerhard

  公开号：US20100233102A1

  公开（公告）日：2010-09-16

  The invention provides the use of a 4-hydroxydihydrochalcone of the formula (I) wherein R 1 , R 2 , R 3 and R 4 each, independently, represent H, OH or O-alkyl, with the proviso that at least one of the groups R 1 , R 2 or R 3 represents OH, a salt of such a 4-hydroxydihydrochalcone of the formula (I), a mixture containing or consisting of two or more different 4-hydroxydihydrochalcones of the formula (I), wherein R 1 , R 2 , R 3 and R 4 are each defined in the way given above, a mixture containing or consisting of salts of two or more different 4-hydroxydihydrochalcones of the formula (I), wherein R 1 , R 2 , R 3 and R 4 are each defined in the way given above or a mixture containing or consisting of a 4-hydroxydihydrochalcone of the formula (I) or two or more different 4-hydroxydihydrochalcones of the formula (I), wherein R 1 , R 2 , R 3 and R 4 are each defined in the way given above, and a salt of a 4-hydroxydihydrochalcone of the formula (I) or two or more salts of different 4-hydroxydihydrochalcones of the formula (I), wherein R 1 , R 2 , R 3 and R 4 are each defined in the way given above, to enhance the sweet taste of a sweet-tasting substance or the impression of a sweet smell of a flavouring that gives an impression of a sweet smell.

  本发明提供使用式(I)的4-羟基二氢查尔酮，其中R1、R2、R3和R4各自独立地表示H、OH或O-烷基，但至少其中一个基团R1、R2或R3表示OH，以及该式(I)的4-羟基二氢查尔酮的盐，含有或由两种或更多不同的式(I)的4-羟基二氢查尔酮混合而成，其中R1、R2、R3和R4的定义如上所述，含有或由两种或更多不同的式(I)的4-羟基二氢查尔酮的盐混合而成，其中R1、R2、R3和R4的定义如上所述，含有或由式(I)的4-羟基二氢查尔酮或两种或更多不同的式(I)的4-羟基二氢查尔酮混合而成，其中R1、R2、R3和R4的定义如上所述，以及式(I)的4-羟基二氢查尔酮的盐或两种或更多不同的式(I)的4-羟基二氢查尔酮的盐混合而成，用于增强甜味物质的甜味或给予甜味香料的甜味印象。
• 10.1002/cjoc.202400664
  作者：Wang, Zhouying、Gan, Lu、Song, Zhibin、Liu, Yunyun、Wan, Jie-Ping

  DOI：10.1002/cjoc.202400664

  日期：——

  (tBuOK or tBuONa) mediated generation of aryl free radical from aryl iodide remarks a milestone discovery in the free radical chemistry. However, the equivalent “alkyl halide to alkyl free radical” transformation has not yet been realized in applicable synthesis by similar catalytic tactic. In this paper, the first practical “alkyl halide to alkyl free radical” transformation mediated by tBuOK or TMSOK

  碱叔丁醇（tBuOK 或 tBuONa）介导的芳基碘化物生成芳基自由基是自由基化学中的一项里程碑式发现。然而，等效的“烷基卤化物到烷基自由基”的转化尚未通过类似的催化策略在适用的合成中实现。在本文中，提出了安息香酯直接 α-C-H 烷基化中由 tBuOK 或 TMSOK 介导的首个实用的“烷基卤化物到烷基自由基”转变。作为芳基自由基生成等同等重要的问题，目前的工作虽然为合成多种安息香蛋白带来了一种相当简单和有用的新方法，但通过展示简单碱基介导的自由基形成的更高通用性，也代表了基于烷基自由基的合成中的重要一步。