10199-64-1

Basic information

• Product Name: 1-(1H-pyrazol-1-yl)ethanone
• Synonyms: 1-(1H-Pyrazol-1-yl)ethanone;1-H-pyrazol-1-yl-ethanone;REF DUPL: 1-H-pyrazol-1-yl-ethanone;1-Acetylpyrazole
• CAS NO: 10199-64-1
• Molecular Formula: C₅H₆N₂O
• Molecular Weight: 110.11394
• Mol File: 10199-64-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 197.9 °C at 760 mmHg
• Flash Point: 73.5 °C
• Appearance: /
• Density: 1.14g/cm³
• Vapor Pressure: 0.37mmHg at 25°C
• Refractive Index: 1.552
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-(1H-pyrazol-1-yl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(1H-pyrazol-1-yl)ethanone(10199-64-1)
• EPA Substance Registry System: 1-(1H-pyrazol-1-yl)ethanone(10199-64-1)

Safety Data

• Hazardous Substances Data: 10199-64-1(Hazardous Substances Data)

Usage

General Description

1-(1H-pyrazol-1-yl)ethanone is a chemical compound known for its pyrazole ring structure, which has a central five-membered ring containing two nitrogen atoms. The structural formula of this compound is C5H6N2O. This chemical is known for its aromatic nature and can be used in various settings, including in the production of pharmaceuticals and agrochemicals. Furthermore, it can also serve as a useful building block in organic synthesis. In terms of safety, it's crucial to handle it with care since detailed information about its potential hazards or toxicity is not fully known.

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

Upstream product

• 75-36-5 acetyl chloride 
• 18156-75-7 1-trimethylsilylpyrazole 
• 288-13-1 NH-pyrazole 

Downstream Products

• 1126-00-7 1-phenylpyrazole 
• 288-13-1 NH-pyrazole 
• 79-20-9 acetic acid methyl ester 
• 5267-35-6 N-(diphenylmethyl)acetamide 
• 588-46-5 N-(phenylmethyl)acetamide 
• 36065-27-7 N-α-phenylethylacetamide 
• 103-84-4 Acetanilid 
• 685-91-6 diethylacetamide 
• 762-84-5 N-tert-butylacetamide 
• 1118-69-0 N-isopropylacetamide 
• 51-66-1 4-methoxyacetanilide 
• 103-89-9 4-Methylacetanilide 
• 5331-48-6 n-propylacetamide 

Relevant articles and documents

ETUDE DANS LA SERIE DES ORGANOSILYLAZOLES I. ACTION DES HALOGENURES D'ALKYLE, DES CHLORURES D'ACIDE ET DES CETONES HALOGENEES

The reactivity of organosilylamines of imidazole, pyrazole, 1,2,4-triazole and benzotriazole towards alkyl halides, acidic chlorides and halogenated ketones has been studied.Except for 1-trimethylsilylimidazole, which gives a mixed quaternary salt, reactions with primary halides lead to the corresponding 1-alkylated heterocyclic compounds in high yields; in each case only one isomer is obtained (1-alkyl-1,2,4-triazole and 1-alkylbenzotriazole).Similarly acidic chlorides give 1-acylated derivatives in quantitative yields.Finally α- or β-halogenated ketones show different behaviour and give the addition or substitution products.

Copper-catalyzed C–N cross-coupling of arylboronic acids with N-acylpyrazoles

A copper-catalyzed C–N bond forming reaction of arylboronic acids and N-acylpyrazoles was developed. This procedure used N-acetyl protected pyrazoles as starting material instead of free pyrazoles (NH). The reaction worked under neutral conditions and did not require any base or ligand. The reaction showed good functional group tolerance.