Ethanone, 2-bromo-1-(1-methyl-1H-pyrazol-4-yl)- (9CI)

Base Information

• Chemical Name: Ethanone, 2-bromo-1-(1-methyl-1H-pyrazol-4-yl)- (9CI)
• CAS No.: 706819-66-1
• Molecular Formula: C6H7 Br N2 O
• Molecular Weight: 203.038
• Hs Code.: 2933199090
• Mol file: 706819-66-1.mol

Synonyms:Ethanone, 2-bromo-1-(1-methyl-1H-pyrazol-4-yl)- (9CI)

Chemical Property of Ethanone, 2-bromo-1-(1-methyl-1H-pyrazol-4-yl)- (9CI)

Chemical Property:

• Boiling Point: 276.0±15.0 °C(Predicted)
• PKA: -0.60±0.10(Predicted)
• PSA: 34.89000
• Density: 1.62±0.1 g/cm3(Predicted)
• LogP: 0.99770
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-1-(1-methyl-1H-pyrazol-4-yl)ethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethanone, 2-bromo-1-(1-methyl-1H-pyrazol-4-yl)- (9CI)

There total 6 articles about Ethanone, 2-bromo-1-(1-methyl-1H-pyrazol-4-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: 92.0%

1-(1-methyl-1H-pyrazol-4-yl)-1-ethanone (37687-18-6) → 2-bromo-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one (706819-66-1)

Guidance literature:

Reference yield: 73.0%

1-(1-methyl-1H-pyrazol-3-yl)acetaldehyde (137890-04-1) → 2-bromo-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one (706819-66-1)

Guidance literature:

With pyridinium hydrobromide perbromide; In ethanol; dichloromethane; at 20 ℃; for 6h; Cooling with ice;

Reference yield:

hydrogen bromide (10035-10-6,12258-64-9) + 1-methyl-1H-pyrazole-4-carbonyl chloride (79583-19-0) → 2-bromo-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one (706819-66-1)

Guidance literature:

1-methyl-1H-pyrazole-4-carbonyl chloride; With diazomethyl-trimethyl-silane; In hexane; acetonitrile; at 0 ℃; for 1h;

hydrogen bromide; With acetic acid; In hexane; acetonitrile; at 20 ℃; for 1.33333h;

upstream raw materials:

1-(1-methyl-1H-pyrazol-4-yl)-1-ethanone

hydrogen bromide

1-methyl-1H-pyrazole-4-carbonyl chloride

1-methyl-1H-pyrazole-4-carboxylic acid

Downstream raw materials:

C₄₀H₃₄N₁₀O₂

C₄₁H₃₅N₉O₂

C₁₈H₁₄Cl₂N₆O

C₁₉H₁₆F₂N₆O₂