2-(4-Bromophenyl)oxazole

Base Information

• Chemical Name: 2-(4-Bromophenyl)oxazole
• CAS No.: 176961-50-5
• Molecular Formula: C9H6BrNO
• Molecular Weight: 224.057
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30454315
• Nikkaji Number: J1.786.218I
• Wikidata: Q82275770
• Mol file: 176961-50-5.mol

Synonyms:2-(4-bromophenyl)oxazole;176961-50-5;2-(4-bromophenyl)-1,3-oxazole;2-(4-BROMO-PHENYL)-OXAZOLE;OXAZOLE, 2-(4-BROMOPHENYL)-;SCHEMBL1169590;DTXSID30454315;LAPKDKRJQXERIR-UHFFFAOYSA-N;MFCD04973403;AKOS015835640;AB21326;AM807543;CS-0060218;FT-0708745;EN300-235239;A812222;J-505917;F2147-1012

Chemical Property of 2-(4-Bromophenyl)oxazole

Chemical Property:

• Boiling Point: 296.613 °C at 760 mmHg
• Flash Point: 133.187 °C
• PSA: 26.03000
• Density: 1.525 g/cm³
• LogP: 3.10410
• Storage Temp.: 2-8°C
• 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:

98%min ^*data from raw suppliers

2-(4-bromophenyl)-1,3-oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Bromophenyl)oxazole

There total 8 articles about 2-(4-Bromophenyl)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: 88.0%

2-(4-bromo-phenyl)-4,5-dihydro-oxazole (189120-01-2) → 2-(4-bromophenyl)oxazole (176961-50-5)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; at 20 ℃; for 11h; Molecular sieve;

DOI:10.1002/asia.201300267

Reference yield: 82.0%

2-trimethylsilyl-2H-1,2,3-triazole (13518-80-4) + 4-chlorobenzoyl chloride (586-75-4) → 2-(4-bromophenyl)oxazole (176961-50-5)

Guidance literature:

at 140 ℃; for 3h;

DOI:10.1021/jm000105c

Reference yield: 80.0%

4-Bromo-N-(2,2-dimethoxy-ethyl)-benzamide → 2-(4-bromophenyl)oxazole (176961-50-5)

Guidance literature:

With methanesulfonic acid; phosphorus pentoxide; at 150 ℃; for 1.5h;

DOI:10.1081/SCC-120006015

upstream raw materials:

1,2,3-triazole

4-chlorobenzoyl chloride

vinylene carbonate

p-bromobenzamide

Downstream raw materials:

tert-butyl 4-(4-(oxazol-2-yl)phenyl)piperazine-1-carboxylate

2-(4-(piperazin-1-yl)phenyl)oxazole

2-(4-(4-(thiophen-2-ylmethyl)piperazin-1-yl)phenyl)oxazole

2-(4-(4-((5-methylfuran-2-yl)methyl)piperazin-1-yl)phenyl)oxazole

Refernces

• 1、 -. "SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS". Page/Page column 23. . Retrieved 2010/02/10.
• 2、 -. "Azabicyclic heterocycles as cannabinoid receptor modulators". Page/Page column 92. . Retrieved 2008/06/13.