2-(4-Chlorophenyl)oxazole

Base Information

• Chemical Name: 2-(4-Chlorophenyl)oxazole
• CAS No.: 46047-24-9
• Molecular Formula: C9H6ClNO
• Molecular Weight: 179.606
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50289727
• Nikkaji Number: J1.888.274D
• Wikidata: Q82027169
• Mol file: 46047-24-9.mol

Synonyms:2-(4-CHLOROPHENYL)OXAZOLE;46047-24-9;2-(4-chlorophenyl)-1,3-oxazole;SCHEMBL3054443;DTXSID50289727;AKOS006285992;MB05421

Chemical Property of 2-(4-Chlorophenyl)oxazole

Chemical Property:

• PSA: 26.03000
• LogP: 2.99500
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.0137915
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

2-(4-chlorophenyl)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)Cl

Technology Process of 2-(4-Chlorophenyl)oxazole

There total 9 articles about 2-(4-Chlorophenyl)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: 83.0%

oxazol (288-42-6) + 1-Chloro-4-iodobenzene (637-87-6) → 2-(4-chlorophenyl)oxazole (46047-24-9)

Guidance literature:

oxazol; With zinc chloride-2,2,6,6-tetramethylpiperidin-1-ide lithium chloride complex; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere; Schlenk technique;

1-Chloro-4-iodobenzene; With trifuran-2-yl-phosphane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at 50 ℃; for 2h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/ol403019c

Reference yield: 77.6%

2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole (7399-68-0) → 2-(4-chlorophenyl)oxazole (46047-24-9)

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: 58.0%

oxazol (288-42-6) + bromochlorobenzene (106-39-8) → 2-(4-chlorophenyl)oxazole (46047-24-9) + 2,5-bis(4-chlorophenyl)oxazole (54867-72-0)

Guidance literature:

With palladium(II) acetylacetonate; caesium carbonate; In N,N-dimethyl acetamide; at 110 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201900641

upstream raw materials:

4-(1,3-oxazol-2-yl)aniline

4-chlorobenzaldehyde

2,2-dimethoxyethylamine

5-Bromo-2-(4-chlorophenyl)oxazole

Downstream raw materials:

2-(4-chlorophenyl)-5-phenyloxazole