5-(4-Bromophenyl)-1,3-oxazole

Base Information

• Chemical Name: 5-(4-Bromophenyl)-1,3-oxazole
• CAS No.: 72571-06-3
• Molecular Formula: C9H6BrNO
• Molecular Weight: 224.057
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10380062
• Nikkaji Number: J2.930.730J
• Wikidata: Q82170092
• ChEMBL ID: CHEMBL1401054
• Mol file: 72571-06-3.mol

Synonyms:5-(4-bromophenyl)-1,3-oxazole;5-(4-bromophenyl)oxazole;72571-06-3;Oxazole, 5-(4-bromophenyl)-;MFCD02682015;Oxazole,5-(4-bromophenyl)-;5-(4-bromo-phenyl)-oxazole;MLS000763519;SCHEMBL102644;CHEMBL1401054;DTXSID10380062;FEBCQOHEPVLTLY-UHFFFAOYSA-N;HMS2721E13;AMY31399;XCA57106;AKOS005069534;s10968;SMR000336862;SY003400;A9435;CS-0187063;FT-0619635;5-(4-bromophenyl)-1,3-oxazole, AldrichCPR;11X-0800;J-516214

Chemical Property of 5-(4-Bromophenyl)-1,3-oxazole

Chemical Property:

• Vapor Pressure: 0.000794mmHg at 25°C
• Melting Point: 78-80°C
• Refractive Index: 1.58
• Boiling Point: 315.8 °C at 760 mmHg
• Flash Point: 144.8 °C
• PSA: 26.03000
• Density: 1.524 g/cm³
• LogP: 3.10410
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 222.96328
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

97% ^*data from raw suppliers

5-(4-Bromophenyl)-1,3-oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: T
• Statements: 36/37/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CN=CO2)Br

Technology Process of 5-(4-Bromophenyl)-1,3-oxazole

There total 15 articles about 5-(4-Bromophenyl)-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%

4-bromo-benzaldehyde (1122-91-4) → 5-(4-bromophenyl)oxazole (72571-06-3)

Guidance literature:

Reference yield: 95.0%

→ 5-(4-bromophenyl)oxazole (72571-06-3)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 16h;

Reference yield: 88.0%

p-tosylmethyl isocyanide + 4-bromophenylglyoxylic acid (7099-87-8) → 5-(4-bromophenyl)oxazole (72571-06-3)

Guidance literature:

4-bromophenylglyoxylic acid; With potassium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

p-tosylmethyl isocyanide; With 1,10-Phenanthroline; copper(l) chloride; In 1,2-dimethoxyethane; at 80 ℃; for 6h;

DOI:10.1039/c6ra16031j

upstream raw materials:

α-amino-4-bromoacetophenone hydrochloride

orthoformic acid triethyl ester

[(p-methylphenyl)sulfonylmethyl]isonitrile

4-bromo-benzaldehyde

Downstream raw materials:

1-(2-(6-(4-oxazol-5-yl-phenoxy)-2-pyridin-2-yl-3-(2-trimethylsilanyl-ethoxymethyl)-3H-benzimidazol-5-yl)-pyrrolidin-1-yl)-ethanone

(R)-2-[4-(4-Oxazol-5-yl-phenoxy)-phenoxymethyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

5-(4-(trimethylstannyl)phenyl)oxazole

2-phenyl-5-(4-bromophenyl)-5-oxazole