3-(4-chlorobenzoyl)-6-methyl-4H-chromen-4-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 高异黄酮
• 英文名称: 3-(4-chlorobenzoyl)-6-methyl-4H-chromen-4-one
• 英文别名: 3-(4-chlorobenzoyl)-6-methylchromen-4-one
• 化学式: C₁₇H₁₁ClO₃
• mdl: MFCD01308591
• 分子量: 298.726
• InChiKey: IHRJCFXNLNUTLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-dimethylamino-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one 、 (4-氯苯基)乙醛酸 在 dipotassium peroxodisulfate 、 silver nitrate 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 12.0h， 以85%的产率得到3-(4-chlorobenzoyl)-6-methyl-4H-chromen-4-one
  参考文献：
  名称：

  3-酰基色酮的新条目：TM催化的α-酮酸与邻羟基芳基亚胺基酮，2,3-未取代的色酮和3-碘色酮的脱羧交叉偶联

  摘要：

  据报道，利用α-酮酸与邻-羟基烯酮，2,3-未取代的色酮和3-碘色酮的过渡金属催化的脱羧交叉偶联反应，三个新的3-酰基色酮条目。标题方法可实现一系列类药物色酮衍生物的简明合成，适用于化合物库的组合制备。

  DOI：

  10.1002/ejoc.201801231

文献信息

• NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH
  申请人：Yale University

  公开号：EP2220499A2

  公开（公告）日：2010-08-25
• Nogo Receptor Binding Small Molecules to Promote Axonal Growth
  申请人：Strittmatter Stephen M.

  公开号：US20110065715A1

  公开（公告）日：2011-03-17

  The present invention provides a method for identifying compounds which modulate the interaction of Nogo and Nogo receptor (NgR). The present invention also provides compounds that modulate the interaction of Nogo and Nogo receptor (NgR), the use of such compounds and compositions in the treatment or amelioration of conditions diseases or disorders, such as spinal cord injury, traumatic brain injury, stroke, multiple sclerosis, ALS, Huntington's disease, Alzheimer's disease, Parkinson's disease, epilepsy, Schizophrenia or schizoaffective disorders.
• [EN] NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH<br/>[FR] PETITES MOLÉCULES SE LIANT AU RÉCEPTEUR NOGO POUR PROMOUVOIR LA CROISSANCE AXONALE
  申请人：STRITTMATTER STEPHEN M

  公开号：WO2009073141A2

  公开（公告）日：2009-06-11

  The present invention provides a method for identifying compounds which modulate the interaction of Nogo and Nogo receptor (NgR). The present invention also provides compounds that modulate the interaction of Nogo and Nogo receptor (NgR), the use of such compounds and compositions in the treatment or amelioration of conditions diseases or disorders, such as spinal cord injury, traumatic brain injury, stroke, multiple sclerosis, ALS, Huntington's disease, Alzheimer's disease, Parkinson's disease, epilepsy, Schizophrenia or schizoaffective disorders.
• New Entries to 3-Acylchromones: TM-Catalysed Decarboxylative Cross-Coupling of α-Keto Acids with <i>ortho</i> -Hydroxyarylenaminones, 2,3-Unsubstituted Chromones and 3-Iodochromones
  作者：Satenik Mkrtchyan、Viktor O. Iaroshenko

  DOI：10.1002/ejoc.201801231

  日期：2018.12.31

  Three new entries to 3‐acylchromones utilizing transition metal catalyzed decarboxylative cross‐coupling reactions of α‐keto acids with ortho‐hydroxyenaminones, 2,3‐unsubstituted chromones and 3‐iodochromones are reported. The title methodologies permit a concise synthesis of series of drug‐like chromone derivatives and are suitable for the combinatorial preparation of compounds libraries.

  据报道，利用α-酮酸与邻-羟基烯酮，2,3-未取代的色酮和3-碘色酮的过渡金属催化的脱羧交叉偶联反应，三个新的3-酰基色酮条目。标题方法可实现一系列类药物色酮衍生物的简明合成，适用于化合物库的组合制备。