Ethanone, 1-(1H-pyrazol-3-yl)- (9CI)

Base Information

• Chemical Name: Ethanone, 1-(1H-pyrazol-3-yl)- (9CI)
• CAS No.: 20583-33-9
• Molecular Formula: C5H6N2O
• Molecular Weight: 110.115
• Hs Code.: 2933199090
• Mol file: 20583-33-9.mol

Synonyms:1-(1(2)H-pyrazol-3-yl)-ethanone;3(5)-Acetyl-pyrazol;3-acetylpyrazole;1-(2H-PYRAZOL-3-YL)-ETHANONE;3-Acetyl-pyrazol;3(5)-acetylpyrazole;1-(1H-pyrazol-3-yl)ethanone;1-(1(2)H-Pyrazol-3-yl)-aethanon;

Chemical Property of Ethanone, 1-(1H-pyrazol-3-yl)- (9CI)

Chemical Property:

• Melting Point: 100-101 °C(Solv: benzene (71-43-2))
• Boiling Point: 277.7±13.0 °C(Predicted)
• PKA: 10.96±0.10(Predicted)
• PSA: 45.75000
• Density: 1.190±0.06 g/cm3(Predicted)
• LogP: 0.61230
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

1-(1H-Pyrazol-3-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethanone, 1-(1H-pyrazol-3-yl)- (9CI)

There total 3 articles about Ethanone, 1-(1H-pyrazol-3-yl)- (9CI) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 4-chloro-3-buten-2-one (7119-27-9) → 1-(1H-pyrazol-3-yl)ethan-1-one (20583-33-9)

Guidance literature:

Reference yield:

3-(p-nitrobenzoyloxy)-3-buten-2-one (78209-93-5) + diazomethyl-trimethyl-silane (18107-18-1) → 1-(1H-pyrazol-5-yl)ethanone (20583-33-9) + 1-[3-(4-nitro-phenyl)-5-trimethylsilanyl-4,5-dihydro-3H-pyrazol-3-yl]-ethanone

Guidance literature:

In diethyl ether; hexane; at 20 ℃; for 24h; Title compound not separated from byproducts.;

DOI:10.1021/jo001393n

Reference yield:

3-(p-nitrobenzoyloxy)-3-buten-2-one (78209-93-5) + diazomethyl-trimethyl-silane (18107-18-1) → 1-(1H-pyrazol-5-yl)ethanone (20583-33-9) + 4-Nitro-benzoic acid 3-acetyl-5-trimethylsilanyl-4,5-dihydro-3H-pyrazol-3-yl ester

Guidance literature:

In diethyl ether; for 24h; Ambient temperature;

DOI:10.1016/0040-4039(96)01546-8

upstream raw materials:

diazomethane

4-chloro-3-buten-2-one

3-(p-nitrobenzoyloxy)-3-buten-2-one

diazomethyl-trimethyl-silane

Downstream raw materials:

1H-pyrazole-3-carboxylic acid

2-{2-[3-(3-Morpholin-4-yl-propoxy)-phenyl]-pyrrolidin-1-yl}-1-(2H-pyrazol-3-yl)-ethanone

(S)-N-(1-(3-(3-Chloro-4-cyano-5-fluorophenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H,2'H-3,3'-bipyrazole-5-carboxamide

N-(((2S,4R)-2-(2,4-difluorophenyl)-4-hydroxy-4-(1-methyl-1H-pyrazol-5-yl)butan-2-yl)carbamothioyl)benzamide