4-(4-Bromophenyl)-2-methyl-1,3-oxazole

Base Information

• Chemical Name: 4-(4-Bromophenyl)-2-methyl-1,3-oxazole
• CAS No.: 22091-49-2
• Molecular Formula: C10H8 Br N O
• Molecular Weight: 238.084
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70512084
• Wikidata: Q82371178
• Mol file: 22091-49-2.mol

Synonyms:22091-49-2;4-(4-Bromophenyl)-2-methyl-1,3-oxazole;4-(4-bromophenyl)-2-methyloxazole;Oxazole,4-(4-bromophenyl)-2-methyl-;4-(4-bromo-phenyl)-2-methyl-oxazole;SCHEMBL1169116;DTXSID70512084;KUNURROGBCFQQW-UHFFFAOYSA-N;MFCD09261234;4-(4-Bromophenyl)-2-methyl-oxazole;AKOS022363955;TS-03332;4-(4-bromophenyl)-2-methyl-1, 3-oxazole;CS-0253772;FT-0757142;A911227

Chemical Property of 4-(4-Bromophenyl)-2-methyl-1,3-oxazole

Chemical Property:

• PSA: 26.03000
• LogP: 3.41250
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.97893
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

99%, ^*data from raw suppliers

4-(4-Bromophenyl)-2-methyl-1,3-oxazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CO1)C2=CC=C(C=C2)Br

Technology Process of 4-(4-Bromophenyl)-2-methyl-1,3-oxazole

There total 9 articles about 4-(4-Bromophenyl)-2-methyl-1,3-oxazole 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: 95.0%

C10H9BrINO → 4-(4-bromophenyl)-2-methyloxazole (22091-49-2)

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; Inert atmosphere;

DOI:10.1002/chem.201301785

Reference yield: 79.0%

N-{1-(4-bromophenyl)vinyl}acetamide (177750-12-8) → 4-(4-bromophenyl)-2-methyloxazole (22091-49-2)

Guidance literature:

With boron trifluoride diethyl etherate; 1-fluoro-3,3-dimethyl-1,3-dihydro-1λ³-benzo[d][1,2]iodaoxole; In acetonitrile; at 25 ℃; for 3h; Schlenk technique; Molecular sieve;

DOI:10.1039/c9ob01895f

Reference yield: 54.0%

acetamide (60-35-5) + para-bromophenacyl bromide (99-73-0,132309-76-3) → 4-(4-bromophenyl)-2-methyloxazole (22091-49-2)

Guidance literature:

In neat (no solvent); at 120 ℃; for 12h;

DOI:10.1016/j.ejmech.2020.112759

upstream raw materials:

acetamide

para-bromophenacyl bromide

acetonitrile

p-bromoacetophenone oxime

Downstream raw materials:

4-([1,1'-biphenyl]-4-yl)-2-methyloxazole

4-(4-Bromo-phenyl)-2-methyl-5-nitro-oxazole

N-(3,4-Dimethyl-5-isoxazolyl)-N-[(2-methoxyethoxy)methyl]-4'-(2-methyl-4-oxazolyl)[1,1'-biphenyl]-2-sulfonamide

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