25016-16-4

Basic information

• Product Name: Ethanone, 1-(1H-pyrazol-4-yl)- (9CI)
• Synonyms: Ethanone, 1-(1H-pyrazol-4-yl)- (9CI);4-ACETYLPYRAZOLE;1-(1H-Pyrazol-4-yl)ethanone;4-Acetyl-1H-pyrazole;1-(1H-pyrazol-4-yl)ethan-1-one;1-(1H-Pyrazol-4-yl)
• CAS NO: 25016-16-4
• Molecular Formula: C₅H₆N₂O
• Molecular Weight: 110.11394
• Product Categories: ACETYLGROUP
• Mol File: 25016-16-4.mol
• Article Data: 1

Chemical Properties

• Melting Point: 114-115 °C
• Boiling Point: 277.682 °C at 760 mmHg
• Flash Point: 125.949 °C
• Appearance: /
• Density: 1.19 g/cm³
• Vapor Pressure: 0.00446mmHg at 25°C
• Refractive Index: 1.535
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 11.20±0.50(Predicted)
• CAS DataBase Reference: Ethanone, 1-(1H-pyrazol-4-yl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 1-(1H-pyrazol-4-yl)- (9CI)(25016-16-4)
• EPA Substance Registry System: Ethanone, 1-(1H-pyrazol-4-yl)- (9CI)(25016-16-4)

Safety Data

• Hazardous Substances Data: 25016-16-4(Hazardous Substances Data)

Usage

Description

Ethanone, 1-(1H-pyrazol-4-yl)(9CI) is an organic compound that belongs to the class of ketones and pyrazoles. It is characterized by the presence of a carbonyl group (C=O) attached to an ethyl group and a 1H-pyrazol-4-yl group. Ethanone, 1-(1H-pyrazol-4-yl)(9CI) is known for its unique chemical properties and potential applications in various fields.

Uses

Used in Flavor and Fragrance Industry:
Ethanone, 1-(1H-pyrazol-4-yl)(9CI) is used as a flavor and fragrance compound for enhancing the sensory characteristics of various products. It is particularly useful in the identification and study of volatile flavor compounds in the food industry, such as sesame seed oil and salmon meat, where it contributes to the overall aroma and taste.
Used in Pharmaceutical Industry:
Ethanone, 1-(1H-pyrazol-4-yl)(9CI) may also find applications in the pharmaceutical industry due to its unique chemical structure. It can potentially be used as an intermediate in the synthesis of various drugs or as a building block for the development of new pharmaceutical compounds with specific therapeutic properties.
Used in Chemical Research:
In the field of chemical research, Ethanone, 1-(1H-pyrazol-4-yl)(9CI) can be employed as a research tool to study the properties and reactivity of ketones and pyrazoles. It can also be used to explore new reaction pathways and develop innovative synthetic methods for the preparation of complex organic molecules.

InChI:InChI=1/C5H6N2O/c1-4(8)5-2-6-7-3-5/h2-3H,1H3,(H,6,7)

Upstream product

• 57121-49-0 4-ethynyl-1H-pyrazole 
• 116228-44-5 1-Benzoyl-4-trimethylsilylethinylpyrazol 

Downstream Products

• 3968-40-9 1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-one 
• 925142-81-0 1-(1-(3-chlorophenyl)-1H-pyrazol-4-yl)ethanone 
• 925155-57-3 1-(1-(2-chlorophenyl)-1H-pyrazol-4-yl)ethenone 
• 925580-76-3 1-(1-(4-chlorophenyl)-1H-pyrazol-4-yl)ethanone 
• 1015846-07-7 1-[1-(2-methylphenyl)pyrazol-4-yl]ethanone 
• 1188263-60-6 1-(1-benzyl-1H-pyrazol-4-yl)ethan-1-one 

Relevant articles and documents

On the Chemistry of Pyrazolylalkines; Pyrazoles II.

Palladium-catalyzed reactions of 1-benzoyl-4-iodopyrazole (2a) with monosubstituted acetylenes 3a,3b and 3c in triethylamine solution provide convenient access to the cross-coupled products 4a,4b and 4c.The 4-ethinylpyrazoles 5a and 7 obtained after metha