2-Bromo-1-(4-fluoro-3-methylphenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(4-fluoro-3-methylphenyl)ethanone
• CAS No.: 63529-31-7
• Molecular Formula: C9H8BrFO
• Molecular Weight: 231.064
• Hs Code.: 2914120000
• DSSTox Substance ID: DTXSID401262459
• Mol file: 63529-31-7.mol

Synonyms:2-Bromo-1-(4-fluoro-3-methylphenyl)ethanone;63529-31-7;2-bromo-1-(4-fluoro-3-methyl-phenyl)-ethanone;2-bromo-1-(4-fluoro-3-methylphenyl)ethan-1-one;4-fluoro-3-methylphenacyl bromide;SCHEMBL5301761;PFWAGSRBBGFIOF-UHFFFAOYSA-N;DTXSID401262459;MFCD18089176;AKOS017557980;AS-0159

Chemical Property of 2-Bromo-1-(4-fluoro-3-methylphenyl)ethanone

Chemical Property:

• Boiling Point: 276.0±25.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.494±0.06 g/cm3(Predicted)
• LogP: 2.71170
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.97426
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99%, ^*data from raw suppliers

2-Bromo-1-(4-fluoro-3-methylphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)CBr)F

Technology Process of 2-Bromo-1-(4-fluoro-3-methylphenyl)ethanone

There total 1 articles about 2-Bromo-1-(4-fluoro-3-methylphenyl)ethanone 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:

1-(4-fluoro-3-methylphenyl)ethanone (369-32-4) → 2-bromo-1-(4-fluoro-3-methyl-phenyl)-ethanone (63529-31-7)

Guidance literature:

With bromine; In acetic acid;

Reference yield: 97.0%

diethyl 4-(trifluoromethyl)-1H-pyrazole-3,5-dicarboxylate (1561965-69-2) + 2-bromo-1-(4-fluoro-3-methyl-phenyl)-ethanone (63529-31-7) → diethyl 1-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]-4-(trifluoromethyl)-1H-pyrazole-3,5-dicarboxylate

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 1h;

Reference yield: 89.0%

1-(4-bromophenyl)thiourea (2646-30-2) + 2-bromo-1-(4-fluoro-3-methyl-phenyl)-ethanone (63529-31-7) → 2-(4-bromophenylamino)-4-(4-fluoro-3-methylphenyl)thiazole (1239982-53-6)

Guidance literature:

1-(4-bromophenyl)thiourea; 2-bromo-1-(4-fluoro-3-methyl-phenyl)-ethanone; In ethanol; at 30 - 35 ℃; for 2.5h; Sonication;

With ammonium hydroxide; In ethanol;

DOI:10.1080/10426500903036014

upstream raw materials:

1-(4-fluoro-3-methylphenyl)ethanone

Downstream raw materials:

(4-ethoxy-phenyl)-[5-(4-fluoro-3-methyl-phenyl)-thiazol-2-yl]-amine

(4-bromo-phenyl)-[5-(4-fluoro-3-methyl-phenyl)-thiazol-2-yl]-amine

[5-(4-fluoro-3-methyl-phenyl)-thiazol-2-yl]-(2-methoxy-phenyl)-amine

1-(4-Fluoro-3-methyl-phenyl)-2-(7-fluoro-2H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-ethanone