40061-45-8

Basic information

• Product Name: 1-PHENYL-2-PYRAZIN-2-YLETHANONE
• Synonyms: 1-Phenyl-2-(pyrazin-2-yl)ethan-1-one;2-(Benzoylmethyl)-1,4-diazine, 2-Phenacylpyrazine
• CAS NO: 40061-45-8
• Molecular Formula: C₁₂H₁₀N₂O
• Molecular Weight: 198.23
• Mol File: 40061-45-8.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 343.4±27.0 °C(Predicted)
• Appearance: /
• Density: 1.179±0.06 g/cm3(Predicted)
• PKA: 0.51±0.10(Predicted)
• CAS DataBase Reference: 1-PHENYL-2-PYRAZIN-2-YLETHANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PHENYL-2-PYRAZIN-2-YLETHANONE(40061-45-8)
• EPA Substance Registry System: 1-PHENYL-2-PYRAZIN-2-YLETHANONE(40061-45-8)

Safety Data

• Hazardous Substances Data: 40061-45-8(Hazardous Substances Data)

Usage

General Description

1-PHENYL-2-PYRAZIN-2-YLETHANONE is a chemical compound that belongs to the class of organic compounds known as benzene and substituted derivatives. It is used in the pharmaceutical industry as an intermediate for the synthesis of various drugs and pharmaceutical products. 1-PHENYL-2-PYRAZIN-2-YLETHANONE has a molecular formula of C14H12N2O and a molecular weight of 224.26 g/mol. It is a yellow, crystalline substance that is soluble in organic solvents and has a melting point of 96-100°C. 1-PHENYL-2-PYRAZIN-2-YLETHANONE is known to have potential biological activity and is a commonly used building block in the synthesis of various bioactive compounds.

Upstream product

• 109-08-0 2-Methylpyrazine 
• 14508-49-7 2-chloropyrazin 
• 15480-89-4 potassium enolate of acetophenone 
• 110524-88-4 (Z)-1-Phenyl-2-pyrazin-2-yl-ethenol 
• 93-58-3 benzoic acid methyl ester 
• 32111-21-0 2-iodopyrazine 
• 98-86-2 acetophenone 

Downstream Products

• 110524-88-4 (Z)-1-Phenyl-2-pyrazin-2-yl-ethenol 
• 1283117-68-9 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-phenyl-5-(pyrazin-2-yl)-3,4-dihydropyrimidin-2(1H)-one 
• 1639441-07-8 C₁₈H₁₈N₂O₄ 
• 1639441-15-8 C₁₆H₁₄N₂O 
• 1639441-12-5 C₁₉H₂₀N₂O₄ 
• 1639441-20-5 C₁₇H₁₆N₂O 

Relevant articles and documents

Palladium-Catalyzed Direct α-C(sp3) Heteroarylation of Ketones under Microwave Irradiation

Heteroaryl compounds are valuable building blocks in medicinal chemistry and chemical industry. A palladium-catalyzed direct α-C(sp3) heteroarylation of ketones under microwave irradiation is developed and reported in this study. Under optimized condition

NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS

The present invention is directed to novel dihydropyrimidin-2(1H)-one compounds useful as S-nitrosoglutathione reductase (GSNOR) inhibitors, pharmaceutical compositions comprising such compounds, and methods of making and using the same.

Keto-Enol Tautomerism of Phenacylpyrazine: Acid Catalysis with Protonation at Nitrogen

Kinetic and equilibrium measurements for ionisation and enolisation of 2-phenacylpyrazine in aqueous solution at 25 deg C yield a tautomeric constant pKE = 2.05 (where KE = /) and pKas for loss of a methylene proton and for protonation at nitrogen of 11.90 and 0.40, respectively.In contrast to 2-phenacylpyridine the low basicity of the pyrazine nitrogens renders an enaminone tautomer less stable than the enol and a value of pKM = 4.4 (KM = /) is estimated for this equilibrium.Evidence is presented that acid catalysis of keto-enol tautomerism occurs with protonation at the N-1 nitrogen atom rather than carbonyl group (or N-4 nitrogen) despite the proton being bound to oxygen in the enolic product.This preference reflects relative magnitudes of binding constants (1/Ka) and activating factors (PAF) for protonation at the different positions.Broensted and Marcus equations are used to express catalytic efficiency in terms of equilibrium constants for binding the catalyst to the reactant and products of the uncatalysed reaction.The form of catalysis observed, which reflects the influence of proton binding on the activation energy of the reaction, is contrasted with that in intramolecular or enzymatic reactions, which normally derives from approximation of the reactants and is entropic in origin.The significance of optimum binding of the catalyst to the transition state in the two cases is briefly compared.