2-Chloro-5-phenyloxazole

Base Information

• Chemical Name: 2-Chloro-5-phenyloxazole
• CAS No.: 62124-43-0
• Molecular Formula: C9H6 Cl N O
• Molecular Weight: 179.606
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90451224
• Nikkaji Number: J764.534A
• Wikidata: Q72457597
• Mol file: 62124-43-0.mol

Synonyms:2-Chloro-5-phenyloxazole;62124-43-0;2-chloro-5-phenyl-1,3-oxazole;Oxazole, 2-chloro-5-phenyl-;2-chloro-5-phenyl-oxazole;SCHEMBL1363021;DTXSID90451224;RQAIEHDXUZPMBJ-UHFFFAOYSA-N;MFCD08688603;ZB1275;AKOS006288797;CS-W006116;FS-3663;s12059;AC-17724;AM20080626

Chemical Property of 2-Chloro-5-phenyloxazole

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 310.927°C at 760 mmHg
• Flash Point: 141.844°C
• PSA: 26.03000
• Density: 1.259g/cm³
• LogP: 2.99500
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.0137915
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5-phenyloxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(O2)Cl
• Uses: 2-Chloro-5-phenyloxazole is a useful research chemical.

Technology Process of 2-Chloro-5-phenyloxazole

There total 7 articles about 2-Chloro-5-phenyloxazole 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: 98.0%

5-phenyloxazole (1006-68-4) → 2-Chloro-5-phenyloxazole (62124-43-0)

Guidance literature:

5-phenyloxazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

With hexachloroethane; In tetrahydrofuran; hexane; at 20 ℃; for 42h;

DOI:10.1021/ol051244x

Reference yield: 80.0%

1-benzoyl-3-chloro-1,2,4-triazole (129053-63-0) → 2-Chloro-5-phenyloxazole (62124-43-0)

Guidance literature:

at 800 ℃; under 0.01 Torr;

Reference yield: 39.0%

5-phenyl-1,3-oxazole-2-thiol (16172-23-9) → 2-Chloro-5-phenyloxazole (62124-43-0)

Guidance literature:

With triethylamine; trichlorophosphate; at 100 ℃;

DOI:10.1021/jm049538w

upstream raw materials:

1-benzoyl-3-chloro-1,2,4-triazole

5-phenyloxazole

5-phenyl-1,3-oxazole-2-thiol

2-aminoacetophenone hydrochloride

Downstream raw materials:

2-[Methyl-(5-phenyl-oxazol-2-yl)-amino]-ethanol