51995-99-4

Basic information

• Product Name: Dehydroespeletone
• Synonyms: Dehydroespeletone;1-(5-Acetyl-2-methoxyphenyl)-3-methylbut-2-en-1-one
• CAS NO: 51995-99-4
• Molecular Formula: C₁₄H₁₆O₃
• Molecular Weight: 232.27504
• Mol File: 51995-99-4.mol

Chemical Properties

• Boiling Point: 378.5±42.0 °C(Predicted)
• Appearance: /
• Density: 1.058±0.06 g/cm3(Predicted)
• CAS DataBase Reference: Dehydroespeletone(CAS DataBase Reference)
• NIST Chemistry Reference: Dehydroespeletone(51995-99-4)
• EPA Substance Registry System: Dehydroespeletone(51995-99-4)

Safety Data

• Hazardous Substances Data: 51995-99-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Dehydroespeletone is used as a potential therapeutic agent for the treatment of inflammatory and oxidative stress-related diseases due to its anti-inflammatory and antioxidant properties. It has shown promise in reducing inflammation and protecting against oxidative damage in various cellular and animal models.
Used in Research and Development:
Dehydroespeletone is used as a subject of ongoing research to determine its potential therapeutic effects and possible applications in the pharmaceutical industry. Further studies are being conducted to explore its efficacy and safety in treating specific conditions.

Upstream product

• 51995-98-3 espeletone 
• 62458-64-4 4'-hydroxy-3'-(3-methylbutanoyl)acetophenone 
• 73618-86-7 3-Methyl-butyric acid 4-acetyl-phenyl ester 
• 99-93-4 4-Hydroxyacetophenone 
• 65580-31-6 1-(5-acetyl-2-hydroxyphenyl)-3-methylbut-2-en-1-one 
• 77-78-1 dimethyl sulfate 

Downstream Products

• 51995-84-7 2-(β,β-dimethylacrylyl)-4-hydroxyethylanisole 
• 1244768-90-8 C₁₄H₁₈O₃ 

Relevant articles and documents

Promiscuous substrate binding explains the enzymatic stereoand regiocontrolled synthesis of enantiopure hydroxy ketones and diols

Regio- and stereoselective reductions of several diketones to afford enantiopure hydroxy ketones or diols were accomplished using isolated alcohol dehydrogenases (ADHs). Results could be rationalised taking into account different (promiscuous) substrate-binding modes in the active site of the enzyme. Furthermore, interesting natural cyclic diketones were also reduced with high regio- and stereoselectivity. Some of the 1,2 and 1,3-diketones used in this study were reduced by employing a low excess of the hydrogen donor (2-propanol) due to the quasi-irreversibility of these ADH-catalysed processes. Thus, using lower quantities of co-substrate, scale-up could be easily achieved.

Synthesis of Naturally Occurring p-Hydroxyacetophenone Derivatives, II

The structures of ten hydroxyacetophenone derivatives isolated from Composites (3-5, 7, 11, 12, 14, 16, 23, and 24) have been finally established by synthesis.